2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide

C15H22N2OS — CID 64823573

IUPAC2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCCC1N
InChIInChI=1S/C15H22N2OS/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h5-6,9-12H,2-4,7-8,16H2,1H3,(H,17,18)
InChIKeySSPPLUXDGHNLHG-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide

2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide (PubChem CID 64823573) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
PubChem CID64823573
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCCC1N
InChIInChI=1S/C15H22N2OS/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h5-6,9-12H,2-4,7-8,16H2,1H3,(H,17,18)
InChIKeySSPPLUXDGHNLHG-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide
CID 82239236
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 64817568
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
CID 131889204
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide (CID 64823573) is 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide is CCSc1ccccc1NC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide?
The InChIKey is SSPPLUXDGHNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h5-6,9-12H,2-4,7-8,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide?
2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64823573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).