(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane

C16H24N2O2S — CID 3233118

IUPAC(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)18-10-5-8-16(14-18)9-11-17(13-16)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t16-/m0/s1
InChIKeyTVUZQTCBEDNSIC-INIZCTEOSA-N
MW308.45 g/mol
LogP1.93
Rot. Bonds3

About (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane

(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane (PubChem CID 3233118) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
PubChem CID3233118
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)18-10-5-8-16(14-18)9-11-17(13-16)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t16-/m0/s1
InChIKeyTVUZQTCBEDNSIC-INIZCTEOSA-N
XLogP1.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane 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

2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 95717588
(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234504
2-methylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131645287
4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
CID 154745649
2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide
CID 136512159
1-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 138998010
(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234926

Frequently Asked Questions

What is the IUPAC name of (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane (CID 3233118) is (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The InChIKey is TVUZQTCBEDNSIC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-21(19,20)18-10-5-8-16(14-18)9-11-17(13-16)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane has a molecular weight of 308.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3233118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).