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

C19H33NO5S — CID 10271567

IUPACN,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxospiro[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@@H](C)O3)C2(C)C
InChIInChI=1S/C19H33NO5S/c1-12(2)20(13(3)4)26(22,23)11-18-9-8-15(17(18,6)7)10-19(18)24-14(5)16(21)25-19/h12-15H,8-11H2,1-7H3/t14-,15?,18?,19?/m1/s1
InChIKeyGQARGMOMMUGTRV-IHRRGDQRSA-N
MW387.54 g/mol
LogP2.92
Rot. Bonds5

About N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxospiro[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-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide (PubChem CID 10271567) has the molecular formula C19H33NO5S and a molecular weight of 387.54 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxospiro[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-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide
PubChem CID10271567
Molecular FormulaC19H33NO5S
Molecular Weight387.54 g/mol
Exact Mass387.21
IUPAC NameN,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxospiro[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@@H](C)O3)C2(C)C
InChIInChI=1S/C19H33NO5S/c1-12(2)20(13(3)4)26(22,23)11-18-9-8-15(17(18,6)7)10-19(18)24-14(5)16(21)25-19/h12-15H,8-11H2,1-7H3/t14-,15?,18?,19?/m1/s1
InChIKeyGQARGMOMMUGTRV-IHRRGDQRSA-N
XLogP2.92
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(5R)-7',7'-dimethyl-4-oxo-5-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
CID 10273180
1-[(1'S,2S,4'R,5S)-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 11762146
1-[(1'S,2R,4'R)-7',7'-dimethyl-4-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
CID 101054642
N,N-di(propan-2-yl)-1-[(1'S,2S,4S,4'R)-4,7',7'-trimethyl-5-oxo-4-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide
CID 101054650
1-[(1'R,2R,4S,4'S)-4-(hydroxymethyl)-7',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-dimethylmethanesulfonamide
CID 10854118
lithium;1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-di(propan-2-yl)methanesulfonamide;1-[2-hydroxy-7,7-dimethyl-2-(morpholin-4-ylmethyl)-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide;4-methanidylmorpholine
CID 158588954
1-[2-(aminomethyl)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide;1-bromo-2-(2-bromoethoxy)ethane;1-[(2S)-2-hydroxy-7,7-dimethyl-2-(morpholin-4-ylmethyl)-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide
CID 157151062
2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
CID 68641707
S-[(1R,2R,4R)-1-[di(propan-2-yl)sulfamoylmethyl]-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] (2R)-2-[(4-methylphenyl)sulfonylamino]propanethioate
CID 10530875
S-[(1R,2R,4R)-1-[di(propan-2-yl)sulfamoylmethyl]-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanethioate
CID 10602934
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;tetramethylazanium
CID 87130560
(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 98573353

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxospiro[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-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide (CID 10271567) is N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxospiro[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-oxospiro[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-oxospiro[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@@H](C)O3)C2(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide?
The InChIKey is GQARGMOMMUGTRV-IHRRGDQRSA-N. The full InChI is InChI=1S/C19H33NO5S/c1-12(2)20(13(3)4)26(22,23)11-18-9-8-15(17(18,6)7)10-19(18)24-14(5)16(21)25-19/h12-15H,8-11H2,1-7H3/t14-,15?,18?,19?/m1/s1.
What are the key properties of N,N-di(propan-2-yl)-1-[(4R)-4,7',7'-trimethyl-5-oxospiro[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-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide has a molecular weight of 387.54 g/mol, XLogP of 2.92, 5 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-oxospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methanesulfonamide is sourced from PubChem (CID 10271567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).