N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride

C13H23ClN2O2S2 — CID 120607415

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)s1.Cl
InChIInChI=1S/C13H22N2O2S2.ClH/c1-10-5-3-4-8-13(10,9-14)15-19(16,17)12-7-6-11(2)18-12;/h6-7,10,15H,3-5,8-9,14H2,1-2H3;1H
InChIKeyYKIRHJSPNDXJRQ-UHFFFAOYSA-N
MW338.93 g/mol
LogP2.66
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride (PubChem CID 120607415) has the molecular formula C13H23ClN2O2S2 and a molecular weight of 338.93 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
PubChem CID120607415
Molecular FormulaC13H23ClN2O2S2
Molecular Weight338.93 g/mol
Exact Mass338.09
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)s1.Cl
InChIInChI=1S/C13H22N2O2S2.ClH/c1-10-5-3-4-8-13(10,9-14)15-19(16,17)12-7-6-11(2)18-12;/h6-7,10,15H,3-5,8-9,14H2,1-2H3;1H
InChIKeyYKIRHJSPNDXJRQ-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.93
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride (CID 120607415) is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)s1.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride?
The InChIKey is YKIRHJSPNDXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2.ClH/c1-10-5-3-4-8-13(10,9-14)15-19(16,17)12-7-6-11(2)18-12;/h6-7,10,15H,3-5,8-9,14H2,1-2H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride has a molecular weight of 338.93 g/mol, XLogP of 2.66, 4 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]-5-methylthiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120607415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).