3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C15H22Cl2N2O2S — CID 119790110

IUPAC3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)Cc1cc(NC(=O)C2CCCC(N)C2)ccc1Cl.Cl
InChIInChI=1S/C15H21ClN2O2S.ClH/c1-21(20)9-11-8-13(5-6-14(11)16)18-15(19)10-3-2-4-12(17)7-10;/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19);1H
InChIKeyGKTSIQNWVGWPLN-UHFFFAOYSA-N
MW365.33 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119790110) has the molecular formula C15H22Cl2N2O2S and a molecular weight of 365.33 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119790110
Molecular FormulaC15H22Cl2N2O2S
Molecular Weight365.33 g/mol
Exact Mass364.08
IUPAC Name3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)Cc1cc(NC(=O)C2CCCC(N)C2)ccc1Cl.Cl
InChIInChI=1S/C15H21ClN2O2S.ClH/c1-21(20)9-11-8-13(5-6-14(11)16)18-15(19)10-3-2-4-12(17)7-10;/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19);1H
InChIKeyGKTSIQNWVGWPLN-UHFFFAOYSA-N
XLogP3.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119790385
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CID 119738470
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
CID 119739551
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide
CID 96551042
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119790110) is 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is CS(=O)Cc1cc(NC(=O)C2CCCC(N)C2)ccc1Cl.Cl.
What is the InChIKey of 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GKTSIQNWVGWPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S.ClH/c1-21(20)9-11-8-13(5-6-14(11)16)18-15(19)10-3-2-4-12(17)7-10;/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 365.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119790110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).