N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride

C16H27ClN2O3S — CID 120998687

IUPACN-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-12-9-13(2)15(21-3)14(10-12)22(19,20)18-11-16(17)7-5-4-6-8-16;/h9-10,18H,4-8,11,17H2,1-3H3;1H
InChIKeyWMIWAHRWPDDAON-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.67
Rot. Bonds5

About N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 120998687) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID120998687
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-12-9-13(2)15(21-3)14(10-12)22(19,20)18-11-16(17)7-5-4-6-8-16;/h9-10,18H,4-8,11,17H2,1-3H3;1H
InChIKeyWMIWAHRWPDDAON-UHFFFAOYSA-N
XLogP2.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 119998568
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119998528
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide
CID 120874313
N-[(1-aminocyclohexyl)methyl]-2,3-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119958724

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride (CID 120998687) is N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride is COc1c(C)cc(C)cc1S(=O)(=O)NCC1(N)CCCCC1.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is WMIWAHRWPDDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-12-9-13(2)15(21-3)14(10-12)22(19,20)18-11-16(17)7-5-4-6-8-16;/h9-10,18H,4-8,11,17H2,1-3H3;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120998687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).