N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide

C16H26N2O2S — CID 43598256

IUPACN-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(N)CCCCCC2)cc1C
InChIInChI=1S/C16H26N2O2S/c1-13-7-8-15(11-14(13)2)21(19,20)18-12-16(17)9-5-3-4-6-10-16/h7-8,11,18H,3-6,9-10,12,17H2,1-2H3
InChIKeySRIASLJRDXSJDL-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.63
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide

N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 43598256) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID43598256
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(N)CCCCCC2)cc1C
InChIInChI=1S/C16H26N2O2S/c1-13-7-8-15(11-14(13)2)21(19,20)18-12-16(17)9-5-3-4-6-10-16/h7-8,11,18H,3-6,9-10,12,17H2,1-2H3
InChIKeySRIASLJRDXSJDL-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

4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665
N-[(1-aminocycloheptyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 119998649
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 115365882
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocyclohexyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 119958870

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide (CID 43598256) is N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(N)CCCCCC2)cc1C.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is SRIASLJRDXSJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-7-8-15(11-14(13)2)21(19,20)18-12-16(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-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide?
N-[(1-aminocycloheptyl)methyl]-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-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43598256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).