N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide

C25H37NO5S — CID 10226695

IUPACN,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)CC12CCC(CC13OC(=O)[C@@](C)(c1ccccc1)O3)C2(C)C
InChIInChI=1S/C25H37NO5S/c1-17(2)26(18(3)4)32(28,29)16-24-14-13-20(22(24,5)6)15-25(24)30-21(27)23(7,31-25)19-11-9-8-10-12-19/h8-12,17-18,20H,13-16H2,1-7H3/t20?,23-,24?,25?/m1/s1
InChIKeyWMFGBZHYXFTCHW-NFUGKBHHSA-N
MW463.64 g/mol
LogP4.45
Rot. Bonds6

About N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide

N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide (PubChem CID 10226695) has the molecular formula C25H37NO5S and a molecular weight of 463.64 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide
PubChem CID10226695
Molecular FormulaC25H37NO5S
Molecular Weight463.64 g/mol
Exact Mass463.24
IUPAC NameN,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)CC12CCC(CC13OC(=O)[C@@](C)(c1ccccc1)O3)C2(C)C
InChIInChI=1S/C25H37NO5S/c1-17(2)26(18(3)4)32(28,29)16-24-14-13-20(22(24,5)6)15-25(24)30-21(27)23(7,31-25)19-11-9-8-10-12-19/h8-12,17-18,20H,13-16H2,1-7H3/t20?,23-,24?,25?/m1/s1
InChIKeyWMFGBZHYXFTCHW-NFUGKBHHSA-N
XLogP4.45
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide with MolForge

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Related Compounds

methyl (3S)-3-[(1'S,2S,4R,4'R)-1'-[di(propan-2-yl)sulfamoylmethyl]-7',7'-dimethyl-5-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-4-yl]-3-phenylpropanoate
CID 102017580
(5R)-5-benzyl-1'-[(dipropylamino)peroxysulfanylmethyl]-5,7',7'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-4-one
CID 59103221
(5S)-1'-[(dipropylamino)peroxysulfanylmethyl]-5,7',7'-trimethyl-5-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-4-one
CID 59103228
1'-[(Dipropylamino)peroxysulfanylmethyl]-7',7'-dimethyl-5-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-4-one
CID 59103230
(5S)-1'-[(dipropylamino)peroxysulfanylmethyl]-7',7'-dimethyl-5-phenyl-5-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-4-one
CID 59103234
[(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 10008541
[(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (2S)-2-methoxy-2-phenylacetate
CID 10053514
1-[(4S)-4-benzyl-7',7'-dimethyl-5-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
CID 10115719
1-[(5R)-7',7'-dimethyl-4-oxo-5-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
CID 10182354
1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
CID 10228168
1-[(4S)-4-benzyl-4,7',7'-trimethyl-5-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
CID 10299325
[(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (2R)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
CID 10438573

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide?
The IUPAC name of N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide (CID 10226695) is N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide.
What is the SMILES notation for N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide?
The canonical SMILES for N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide is CC(C)N(C(C)C)S(=O)(=O)CC12CCC(CC13OC(=O)[C@@](C)(c1ccccc1)O3)C2(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide?
The InChIKey is WMFGBZHYXFTCHW-NFUGKBHHSA-N. The full InChI is InChI=1S/C25H37NO5S/c1-17(2)26(18(3)4)32(28,29)16-24-14-13-20(22(24,5)6)15-25(24)30-21(27)23(7,31-25)19-11-9-8-10-12-19/h8-12,17-18,20H,13-16H2,1-7H3/t20?,23-,24?,25?/m1/s1.
What are the key properties of N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide?
N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide has a molecular weight of 463.64 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide is sourced from PubChem (CID 10226695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).