7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C17H25N3O3S — CID 3233877

IUPAC7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCC(C)NC(=O)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C17H25N3O3S/c1-14(2)18-16(21)19-12-17(13-19)8-10-20(11-9-17)24(22,23)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,18,21)
InChIKeyBLOKECMLIIWMCH-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.89
Rot. Bonds3

About 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide

7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 3233877) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID3233877
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCC(C)NC(=O)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C17H25N3O3S/c1-14(2)18-16(21)19-12-17(13-19)8-10-20(11-9-17)24(22,23)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,18,21)
InChIKeyBLOKECMLIIWMCH-UHFFFAOYSA-N
XLogP1.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233947
3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 657951
N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 6465555
3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide
CID 3233292
(5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3233400
4-(benzenesulfonyl)-N-cyclopropylpiperazine-1-carboxamide
CID 17509964
1-(Tert-butyl)-3-(2-(1-((4-fluoro-3-methylphenyl)sulfonyl)piperidin-2-yl)ethyl)urea
CID 18574543
1-Pentan-2-yl-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42952678
N-Cyclohexyl-4-[2-(4-fluorobenzenesulfonamido)ethyl]piperidine-1-carboxamide
CID 46381900
N-Cyclohexyl-4-[2-(4-methylbenzenesulfonamido)ethyl]piperidine-1-carboxamide
CID 46381902
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 49065611
1-{2-[1-(4-Fluorobenzenesulfonyl)piperidin-4-YL]ethyl}-3-propylurea
CID 50822694

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 3233877) is 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide is CC(C)NC(=O)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is BLOKECMLIIWMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-14(2)18-16(21)19-12-17(13-19)8-10-20(11-9-17)24(22,23)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,18,21).
What are the key properties of 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 3233877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).