8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

C26H33N3O3S — CID 3300945

IUPAC8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)NC4CC4c4ccccc4)C3)CC2)c1
InChIInChI=1S/C26H33N3O3S/c1-19-8-9-20(2)24(16-19)33(31,32)29-14-11-26(12-15-29)10-13-28(18-26)25(30)27-23-17-22(23)21-6-4-3-5-7-21/h3-9,16,22-23H,10-15,17-18H2,1-2H3,(H,27,30)
InChIKeySGSHHJVKBATKMU-UHFFFAOYSA-N
MW467.64 g/mol
LogP4.05
Rot. Bonds4

About 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3300945) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3300945
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Name8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)NC4CC4c4ccccc4)C3)CC2)c1
InChIInChI=1S/C26H33N3O3S/c1-19-8-9-20(2)24(16-19)33(31,32)29-14-11-26(12-15-29)10-13-28(18-26)25(30)27-23-17-22(23)21-6-4-3-5-7-21/h3-9,16,22-23H,10-15,17-18H2,1-2H3,(H,27,30)
InChIKeySGSHHJVKBATKMU-UHFFFAOYSA-N
XLogP4.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 6466224
N-[(2S)-1-[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-4-methyl-1-oxopent-4-en-2-yl]acetamide
CID 74226107
1-[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,3,4-trifluorophenyl)prop-2-en-1-one
CID 3862062
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 5171173
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
CID 26020417
[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone
CID 4637625
3-[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135463124
(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99107522
N-[2-(cyclohexen-1-yl)ethyl]-8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3696878
1-(2,5-dimethylphenyl)sulfonyl-4,4-difluoropiperidine
CID 139027359

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 3300945) is 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)NC4CC4c4ccccc4)C3)CC2)c1.
What is the InChIKey of 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is SGSHHJVKBATKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-19-8-9-20(2)24(16-19)33(31,32)29-14-11-26(12-15-29)10-13-28(18-26)25(30)27-23-17-22(23)21-6-4-3-5-7-21/h3-9,16,22-23H,10-15,17-18H2,1-2H3,(H,27,30).
What are the key properties of 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylcyclopropyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3300945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).