N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride

C16H27ClN2O2S — CID 120607414

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
SMILESCCc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-3-14-7-9-15(10-8-14)21(19,20)18-16(12-17)11-5-4-6-13(16)2;/h7-10,13,18H,3-6,11-12,17H2,1-2H3;1H
InChIKeyDIPCZSKSTDEMHU-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.86
Rot. Bonds5

About N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride (PubChem CID 120607414) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
PubChem CID120607414
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
SMILESCCc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-3-14-7-9-15(10-8-14)21(19,20)18-16(12-17)11-5-4-6-13(16)2;/h7-10,13,18H,3-6,11-12,17H2,1-2H3;1H
InChIKeyDIPCZSKSTDEMHU-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride (CID 120607414) is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride is CCc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride?
The InChIKey is DIPCZSKSTDEMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-3-14-7-9-15(10-8-14)21(19,20)18-16(12-17)11-5-4-6-13(16)2;/h7-10,13,18H,3-6,11-12,17H2,1-2H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120607414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).