9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane

C16H24N2O2S — CID 3233376

IUPAC9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
SMILESCN1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C16H24N2O2S/c1-17-11-5-8-16(14-17)9-12-18(13-10-16)21(19,20)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyDHGZSZVRJXFOPZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.18
Rot. Bonds2

About 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane

9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane (PubChem CID 3233376) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
PubChem CID3233376
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
SMILESCN1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C16H24N2O2S/c1-17-11-5-8-16(14-17)9-12-18(13-10-16)21(19,20)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyDHGZSZVRJXFOPZ-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72915450
8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane
CID 123981470
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3235527
(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
CID 3235151
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane (CID 3233376) is 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane is CN1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is DHGZSZVRJXFOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17-11-5-8-16(14-17)9-12-18(13-10-16)21(19,20)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane?
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 308.45 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3233376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).