1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C18H29ClN2OS — CID 119333795

IUPAC1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1c(CSC(C)C)cccc1NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-13(2)22-12-15-8-7-9-16(14(15)3)20-17(21)18(19)10-5-4-6-11-18;/h7-9,13H,4-6,10-12,19H2,1-3H3,(H,20,21);1H
InChIKeyLFQUEBUXFKGOJW-UHFFFAOYSA-N
MW356.96 g/mol
LogP4.66
Rot. Bonds5

About 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119333795) has the molecular formula C18H29ClN2OS and a molecular weight of 356.96 g/mol. Its IUPAC name is 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119333795
Molecular FormulaC18H29ClN2OS
Molecular Weight356.96 g/mol
Exact Mass356.17
IUPAC Name1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1c(CSC(C)C)cccc1NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-13(2)22-12-15-8-7-9-16(14(15)3)20-17(21)18(19)10-5-4-6-11-18;/h7-9,13H,4-6,10-12,19H2,1-3H3,(H,20,21);1H
InChIKeyLFQUEBUXFKGOJW-UHFFFAOYSA-N
XLogP4.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62534206
N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]piperidine-4-carboxamide
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1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]urea
CID 111926599
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
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1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119333795) is 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cc1c(CSC(C)C)cccc1NC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LFQUEBUXFKGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS.ClH/c1-13(2)22-12-15-8-7-9-16(14(15)3)20-17(21)18(19)10-5-4-6-11-18;/h7-9,13H,4-6,10-12,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 356.96 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119333795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).