N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride

C13H24ClN3O2S2 — CID 120607333

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride
SMILESCc1nc(C)c(S(=O)(=O)NC2(CN)CCCCC2C)s1.Cl
InChIInChI=1S/C13H23N3O2S2.ClH/c1-9-6-4-5-7-13(9,8-14)16-20(17,18)12-10(2)15-11(3)19-12;/h9,16H,4-8,14H2,1-3H3;1H
InChIKeyHGYZOZGMIQXAFK-UHFFFAOYSA-N
MW353.94 g/mol
LogP2.37
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride (PubChem CID 120607333) has the molecular formula C13H24ClN3O2S2 and a molecular weight of 353.94 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride
PubChem CID120607333
Molecular FormulaC13H24ClN3O2S2
Molecular Weight353.94 g/mol
Exact Mass353.10
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride
SMILESCc1nc(C)c(S(=O)(=O)NC2(CN)CCCCC2C)s1.Cl
InChIInChI=1S/C13H23N3O2S2.ClH/c1-9-6-4-5-7-13(9,8-14)16-20(17,18)12-10(2)15-11(3)19-12;/h9,16H,4-8,14H2,1-3H3;1H
InChIKeyHGYZOZGMIQXAFK-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride (CID 120607333) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride is Cc1nc(C)c(S(=O)(=O)NC2(CN)CCCCC2C)s1.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride?
The InChIKey is HGYZOZGMIQXAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2.ClH/c1-9-6-4-5-7-13(9,8-14)16-20(17,18)12-10(2)15-11(3)19-12;/h9,16H,4-8,14H2,1-3H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 2.37, 4 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]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120607333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).