1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride

C14H27ClN2OS — CID 119343768

IUPAC1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCSC1CCCC(NC(=O)C2(N)CCCC2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-2-18-12-7-5-6-11(10-12)16-13(17)14(15)8-3-4-9-14;/h11-12H,2-10,15H2,1H3,(H,16,17);1H
InChIKeyIYTQOOXCSNZLNA-UHFFFAOYSA-N
MW306.90 g/mol
LogP2.86
Rot. Bonds4

About 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride

1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119343768) has the molecular formula C14H27ClN2OS and a molecular weight of 306.90 g/mol. Its IUPAC name is 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119343768
Molecular FormulaC14H27ClN2OS
Molecular Weight306.90 g/mol
Exact Mass306.15
IUPAC Name1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCSC1CCCC(NC(=O)C2(N)CCCC2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-2-18-12-7-5-6-11(10-12)16-13(17)14(15)8-3-4-9-14;/h11-12H,2-10,15H2,1H3,(H,16,17);1H
InChIKeyIYTQOOXCSNZLNA-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.90
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-methylsulfanylcyclohexyl)cyclopentane-1-carboxamide
CID 103797407
2-amino-N-(3-ethylsulfanylcyclohexyl)acetamide;hydrochloride
CID 119343755
1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide
CID 103709508
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
CID 119945965
1-amino-N-[3-(dimethylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 119889043
1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopentane-1-carboxamide
CID 65472189
2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 113267227
N-[2-[[N-(3-ethylsulfanylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111997755
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
1-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339847

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride (CID 119343768) is 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride is CCSC1CCCC(NC(=O)C2(N)CCCC2)C1.Cl.
What is the InChIKey of 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is IYTQOOXCSNZLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS.ClH/c1-2-18-12-7-5-6-11(10-12)16-13(17)14(15)8-3-4-9-14;/h11-12H,2-10,15H2,1H3,(H,16,17);1H.
What are the key properties of 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 306.90 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119343768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).