N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride

C16H27ClN2O4S — CID 120607479

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1OC.Cl
InChIInChI=1S/C16H26N2O4S.ClH/c1-12-6-4-5-9-16(12,11-17)18-23(19,20)13-7-8-14(21-2)15(10-13)22-3;/h7-8,10,12,18H,4-6,9,11,17H2,1-3H3;1H
InChIKeyAJIXLIIARWXJAR-UHFFFAOYSA-N
MW378.92 g/mol
LogP2.31
Rot. Bonds6

About N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride (PubChem CID 120607479) has the molecular formula C16H27ClN2O4S and a molecular weight of 378.92 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
PubChem CID120607479
Molecular FormulaC16H27ClN2O4S
Molecular Weight378.92 g/mol
Exact Mass378.14
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1OC.Cl
InChIInChI=1S/C16H26N2O4S.ClH/c1-12-6-4-5-9-16(12,11-17)18-23(19,20)13-7-8-14(21-2)15(10-13)22-3;/h7-8,10,12,18H,4-6,9,11,17H2,1-3H3;1H
InChIKeyAJIXLIIARWXJAR-UHFFFAOYSA-N
XLogP2.31
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.92
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 120607272
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
CID 120607408
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 120607191
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
CID 120607207
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 120607192
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120713581

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride (CID 120607479) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1OC.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The InChIKey is AJIXLIIARWXJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S.ClH/c1-12-6-4-5-9-16(12,11-17)18-23(19,20)13-7-8-14(21-2)15(10-13)22-3;/h7-8,10,12,18H,4-6,9,11,17H2,1-3H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride has a molecular weight of 378.92 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120607479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).