N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide

C15H22N2O3S — CID 63258076

IUPACN-(2-aminocycloheptyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2N)cc1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)12-9-7-11(8-10-12)15(18)17-14-6-4-2-3-5-13(14)16/h7-10,13-14H,2-6,16H2,1H3,(H,17,18)
InChIKeyOHXNUEXIWVWBSQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.48
Rot. Bonds3

About N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide

N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide (PubChem CID 63258076) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-4-methylsulfonylbenzamide
PubChem CID63258076
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-aminocycloheptyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2N)cc1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)12-9-7-11(8-10-12)15(18)17-14-6-4-2-3-5-13(14)16/h7-10,13-14H,2-6,16H2,1H3,(H,17,18)
InChIKeyOHXNUEXIWVWBSQ-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
N-(2-aminocycloheptyl)-4-hydroxy-3-methylbenzamide
CID 107672030
N-(2-aminocycloheptyl)furan-3-carboxamide
CID 63258203
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-[(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclohexyl]-4-methylsulfonylbenzamide;cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclohexan-1-amine;4-methylsulfonylbenzoic acid;hydrochloride
CID 159124964
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-(2-aminocyclopentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63251406

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide (CID 63258076) is N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2N)cc1.
What is the InChIKey of N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide?
The InChIKey is OHXNUEXIWVWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(19,20)12-9-7-11(8-10-12)15(18)17-14-6-4-2-3-5-13(14)16/h7-10,13-14H,2-6,16H2,1H3,(H,17,18).
What are the key properties of N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide?
N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 63258076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).