3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide

C16H23N3O3S — CID 56756853

IUPAC3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CCCNC3)C2)c1
InChIInChI=1S/C16H23N3O3S/c1-17-15(20)13-4-2-5-14(10-13)23(21,22)19-9-7-16(12-19)6-3-8-18-11-16/h2,4-5,10,18H,3,6-9,11-12H2,1H3,(H,17,20)
InChIKeyJBEVOSSDSKHQKS-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.81
Rot. Bonds3

About 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide

3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide (PubChem CID 56756853) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide
PubChem CID56756853
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CCCNC3)C2)c1
InChIInChI=1S/C16H23N3O3S/c1-17-15(20)13-4-2-5-14(10-13)23(21,22)19-9-7-16(12-19)6-3-8-18-11-16/h2,4-5,10,18H,3,6-9,11-12H2,1H3,(H,17,20)
InChIKeyJBEVOSSDSKHQKS-UHFFFAOYSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95230701
3-[(4R)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]sulfonyl-N-methylbenzamide
CID 95717717
3-piperazin-1-ylsulfonylbenzohydrazide
CID 141457773
N-methyl-3-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]benzamide
CID 162630911
3-(1,4-diazepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]benzamide
CID 97201245
1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 17418883
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
3-(1,4-diazepan-1-ylsulfonyl)benzoic acid
CID 61405195
2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride
CID 154887610
methyl 3-piperazin-1-ylsulfonylbenzoate
CID 39384372
3-piperazin-1-ylsulfonylbenzoic acid
CID 18801880

Frequently Asked Questions

What is the IUPAC name of 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide?
The IUPAC name of 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide (CID 56756853) is 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide.
What is the SMILES notation for 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide?
The canonical SMILES for 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide is CNC(=O)c1cccc(S(=O)(=O)N2CCC3(CCCNC3)C2)c1.
What is the InChIKey of 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide?
The InChIKey is JBEVOSSDSKHQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-17-15(20)13-4-2-5-14(10-13)23(21,22)19-9-7-16(12-19)6-3-8-18-11-16/h2,4-5,10,18H,3,6-9,11-12H2,1H3,(H,17,20).
What are the key properties of 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide?
3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide has a molecular weight of 337.44 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide is sourced from PubChem (CID 56756853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).