N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride

C17H27ClN2O3S — CID 120607192

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCCC2C)c1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-3-16(20)14-8-6-9-15(11-14)23(21,22)19-17(12-18)10-5-4-7-13(17)2;/h6,8-9,11,13,19H,3-5,7,10,12,18H2,1-2H3;1H
InChIKeyVWSZDSCINRNYEK-UHFFFAOYSA-N
MW374.93 g/mol
LogP2.89
Rot. Bonds6

About N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride (PubChem CID 120607192) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
PubChem CID120607192
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCCC2C)c1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-3-16(20)14-8-6-9-15(11-14)23(21,22)19-17(12-18)10-5-4-7-13(17)2;/h6,8-9,11,13,19H,3-5,7,10,12,18H2,1-2H3;1H
InChIKeyVWSZDSCINRNYEK-UHFFFAOYSA-N
XLogP2.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
CID 120607408
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
CID 120607207
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(hydroxymethyl)cyclopropyl]-3-propanoylbenzenesulfonamide
CID 115902801
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120713581
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 120607272

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride (CID 120607192) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride is CCC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCCC2C)c1.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride?
The InChIKey is VWSZDSCINRNYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c1-3-16(20)14-8-6-9-15(11-14)23(21,22)19-17(12-18)10-5-4-7-13(17)2;/h6,8-9,11,13,19H,3-5,7,10,12,18H2,1-2H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120607192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).