1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C16H25ClN2OS — CID 119315486

IUPAC1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCSCCc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-20-12-9-13-5-7-14(8-6-13)18-15(19)16(17)10-3-2-4-11-16;/h5-8H,2-4,9-12,17H2,1H3,(H,18,19);1H
InChIKeyDDQYIPAVHNYIQU-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.61
Rot. Bonds5

About 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119315486) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119315486
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCSCCc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-20-12-9-13-5-7-14(8-6-13)18-15(19)16(17)10-3-2-4-11-16;/h5-8H,2-4,9-12,17H2,1H3,(H,18,19);1H
InChIKeyDDQYIPAVHNYIQU-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
CID 119769572
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide
CID 111537938
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-[4-(methanesulfonamidomethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119328489
1-amino-N-[4-(3-phenylpropyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119769369
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 119307278

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119315486) is 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is CSCCc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DDQYIPAVHNYIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-20-12-9-13-5-7-14(8-6-13)18-15(19)16(17)10-3-2-4-11-16;/h5-8H,2-4,9-12,17H2,1H3,(H,18,19);1H.
What are the key properties of 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119315486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).