(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide

C16H23N3O3S — CID 3234504

IUPAC(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1
InChIInChI=1S/C16H23N3O3S/c1-23(21,22)19-10-5-8-16(13-19)9-11-18(12-16)15(20)17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,20)/t16-/m0/s1
InChIKeyHZGOZTBRHPMXRF-INIZCTEOSA-N
MW337.44 g/mol
LogP1.97
Rot. Bonds2

About (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234504) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234504
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1
InChIInChI=1S/C16H23N3O3S/c1-23(21,22)19-10-5-8-16(13-19)9-11-18(12-16)15(20)17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,20)/t16-/m0/s1
InChIKeyHZGOZTBRHPMXRF-INIZCTEOSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235269
9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 131638814
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97411912
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793
7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233457
1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134070803
N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131639855
2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134070625
2-(4-fluorophenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134073071

Frequently Asked Questions

What is the IUPAC name of (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 3234504) is (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide is CS(=O)(=O)N1CCC[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1.
What is the InChIKey of (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is HZGOZTBRHPMXRF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-23(21,22)19-10-5-8-16(13-19)9-11-18(12-16)15(20)17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,20)/t16-/m0/s1.
What are the key properties of (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).