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

C16H26N2O4S — CID 120607480

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1OC
InChIInChI=1S/C16H26N2O4S/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
InChIKeyQRDBMARNCRZTJR-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.89
Rot. Bonds6

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 120607480) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID120607480
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1OC
InChIInChI=1S/C16H26N2O4S/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
InChIKeyQRDBMARNCRZTJR-UHFFFAOYSA-N
XLogP1.89
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120607479
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 120607272
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 120607191
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]-N-methylbenzamide
CID 120607207
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120713581
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-nitrobenzenesulfonamide
CID 120607134

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide (CID 120607480) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1OC.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is QRDBMARNCRZTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/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.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.89, 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 is sourced from PubChem (CID 120607480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).