N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide

C16H26N2O2S — CID 28941372

IUPACN-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(CN)CCCCCC2)cc1C
InChIInChI=1S/C16H26N2O2S/c1-13-7-8-15(11-14(13)2)21(19,20)18-16(12-17)9-5-3-4-6-10-16/h7-8,11,18H,3-6,9-10,12,17H2,1-2H3
InChIKeyOMSGKLDHJHFDKG-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.63
Rot. Bonds4

About N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide

N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 28941372) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
PubChem CID28941372
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(CN)CCCCCC2)cc1C
InChIInChI=1S/C16H26N2O2S/c1-13-7-8-15(11-14(13)2)21(19,20)18-16(12-17)9-5-3-4-6-10-16/h7-8,11,18H,3-6,9-10,12,17H2,1-2H3
InChIKeyOMSGKLDHJHFDKG-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 119980611
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 115365882
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325936
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 63889192
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
CID 119980917
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
CID 120710188

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide (CID 28941372) is N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(CN)CCCCCC2)cc1C.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is OMSGKLDHJHFDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-7-8-15(11-14(13)2)21(19,20)18-16(12-17)9-5-3-4-6-10-16/h7-8,11,18H,3-6,9-10,12,17H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 28941372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).