3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride

C17H28ClN3O3S — CID 119692566

IUPAC3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CCCC(N)C2)c1C.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-11-8-15(24(22,23)20(3)4)10-16(12(11)2)19-17(21)13-6-5-7-14(18)9-13;/h8,10,13-14H,5-7,9,18H2,1-4H3,(H,19,21);1H
InChIKeyDJKGBEKEGNRVGV-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.43
Rot. Bonds4

About 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119692566) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119692566
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CCCC(N)C2)c1C.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-11-8-15(24(22,23)20(3)4)10-16(12(11)2)19-17(21)13-6-5-7-14(18)9-13;/h8,10,13-14H,5-7,9,18H2,1-4H3,(H,19,21);1H
InChIKeyDJKGBEKEGNRVGV-UHFFFAOYSA-N
XLogP2.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689774
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692536
(2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide
CID 120784610
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55607249
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119793490
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119692566) is 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CCCC(N)C2)c1C.Cl.
What is the InChIKey of 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DJKGBEKEGNRVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-11-8-15(24(22,23)20(3)4)10-16(12(11)2)19-17(21)13-6-5-7-14(18)9-13;/h8,10,13-14H,5-7,9,18H2,1-4H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119692566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).