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

C13H24ClN3O3S — CID 120607149

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)NC1(CN)CCCCC1C.Cl
InChIInChI=1S/C13H23N3O3S.ClH/c1-9-6-4-5-7-13(9,8-14)16-20(17,18)12-10(2)15-19-11(12)3;/h9,16H,4-8,14H2,1-3H3;1H
InChIKeyGWFSWZIPXPTFSE-UHFFFAOYSA-N
MW337.87 g/mol
LogP1.90
Rot. Bonds4

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 120607149) has the molecular formula C13H24ClN3O3S and a molecular weight of 337.87 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID120607149
Molecular FormulaC13H24ClN3O3S
Molecular Weight337.87 g/mol
Exact Mass337.12
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)NC1(CN)CCCCC1C.Cl
InChIInChI=1S/C13H23N3O3S.ClH/c1-9-6-4-5-7-13(9,8-14)16-20(17,18)12-10(2)15-19-11(12)3;/h9,16H,4-8,14H2,1-3H3;1H
InChIKeyGWFSWZIPXPTFSE-UHFFFAOYSA-N
XLogP1.90
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119980726
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120713549
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120607333
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride
CID 120607171
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
CID 47071939
N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106737884
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 115308803
N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60660895

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride (CID 120607149) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride is Cc1noc(C)c1S(=O)(=O)NC1(CN)CCCCC1C.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is GWFSWZIPXPTFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S.ClH/c1-9-6-4-5-7-13(9,8-14)16-20(17,18)12-10(2)15-19-11(12)3;/h9,16H,4-8,14H2,1-3H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 337.87 g/mol, XLogP of 1.90, 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]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120607149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).