3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide

C15H22N2O2S — CID 119790385

IUPAC3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
SMILESCS(=O)Cc1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H22N2O2S/c1-20(19)10-11-4-2-7-14(8-11)17-15(18)12-5-3-6-13(16)9-12/h2,4,7-8,12-13H,3,5-6,9-10,16H2,1H3,(H,17,18)
InChIKeyLNLWHULMENNDTI-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide

3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119790385) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID119790385
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
SMILESCS(=O)Cc1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H22N2O2S/c1-20(19)10-11-4-2-7-14(8-11)17-15(18)12-5-3-6-13(16)9-12/h2,4,7-8,12-13H,3,5-6,9-10,16H2,1H3,(H,17,18)
InChIKeyLNLWHULMENNDTI-UHFFFAOYSA-N
XLogP2.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119790110
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 63044900
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119801057
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731808
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide (CID 119790385) is 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide is CS(=O)Cc1cccc(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is LNLWHULMENNDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-20(19)10-11-4-2-7-14(8-11)17-15(18)12-5-3-6-13(16)9-12/h2,4,7-8,12-13H,3,5-6,9-10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119790385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).