2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride

C12H25ClN2OS — CID 119343710

IUPAC2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
SMILESCCSC1CCCC1NC(=O)C(N)C(C)C.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-4-16-10-7-5-6-9(10)14-12(15)11(13)8(2)3;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H
InChIKeyPQPWEMNNZJERCD-UHFFFAOYSA-N
MW280.87 g/mol
LogP2.18
Rot. Bonds5

About 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride

2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride (PubChem CID 119343710) has the molecular formula C12H25ClN2OS and a molecular weight of 280.87 g/mol. Its IUPAC name is 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
PubChem CID119343710
Molecular FormulaC12H25ClN2OS
Molecular Weight280.87 g/mol
Exact Mass280.14
IUPAC Name2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
SMILESCCSC1CCCC1NC(=O)C(N)C(C)C.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-4-16-10-7-5-6-9(10)14-12(15)11(13)8(2)3;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H
InChIKeyPQPWEMNNZJERCD-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.87
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
CID 103581059
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119343697
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119818870

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride (CID 119343710) is 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride is CCSC1CCCC1NC(=O)C(N)C(C)C.Cl.
What is the InChIKey of 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride?
The InChIKey is PQPWEMNNZJERCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS.ClH/c1-4-16-10-7-5-6-9(10)14-12(15)11(13)8(2)3;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride?
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride has a molecular weight of 280.87 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119343710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).