(5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C18H26N4O4S — CID 97438996

IUPAC(5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1
InChIInChI=1S/C18H26N4O4S/c1-19(2)17(24)21-9-10-22(27(25,26)15-7-5-4-6-8-15)14-18(13-21)11-16(23)20(3)12-18/h4-8H,9-14H2,1-3H3/t18-/m1/s1
InChIKeyKRTQHCSGHJCIPZ-GOSISDBHSA-N
MW394.50 g/mol
LogP0.52
Rot. Bonds2

About (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

(5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 97438996) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name(5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID97438996
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name(5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1
InChIInChI=1S/C18H26N4O4S/c1-19(2)17(24)21-9-10-22(27(25,26)15-7-5-4-6-8-15)14-18(13-21)11-16(23)20(3)12-18/h4-8H,9-14H2,1-3H3/t18-/m1/s1
InChIKeyKRTQHCSGHJCIPZ-GOSISDBHSA-N
XLogP0.52
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide with MolForge

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Related Compounds

7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070067
10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131645269
(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360273
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one
CID 59279112
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-bromopropan-1-one
CID 107903486
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
methyl 4-(benzenesulfonyl)-1,4-diazepane-1-carboxylate
CID 60575119
N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131639855
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462

Frequently Asked Questions

What is the IUPAC name of (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 97438996) is (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1.
What is the InChIKey of (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is KRTQHCSGHJCIPZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-19(2)17(24)21-9-10-22(27(25,26)15-7-5-4-6-8-15)14-18(13-21)11-16(23)20(3)12-18/h4-8H,9-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
(5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 97438996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).