N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide

C16H26N2O2S — CID 60776396

IUPACN-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCC2(N)CCCCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-13-9-14(2)11-15(10-13)21(19,20)18-12-16(17)7-5-3-4-6-8-16/h9-11,18H,3-8,12,17H2,1-2H3
InChIKeyMIZFQKTYZVNYCY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.63
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide

N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 60776396) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
PubChem CID60776396
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCC2(N)CCCCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-13-9-14(2)11-15(10-13)21(19,20)18-12-16(17)7-5-3-4-6-8-16/h9-11,18H,3-8,12,17H2,1-2H3
InChIKeyMIZFQKTYZVNYCY-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-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide
CID 65102883
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[(1-aminocycloheptyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 119998649
N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 120998687
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 71894825
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide (CID 60776396) is N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)NCC2(N)CCCCCC2)c1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is MIZFQKTYZVNYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-9-14(2)11-15(10-13)21(19,20)18-12-16(17)7-5-3-4-6-8-16/h9-11,18H,3-8,12,17H2,1-2H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide?
N-[(1-aminocycloheptyl)methyl]-3,5-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]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 60776396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).