(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride

C12H25ClN2OS2 — CID 119343697

IUPAC(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCCSC1CCCC1NC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C12H24N2OS2.ClH/c1-3-17-11-6-4-5-10(11)14-12(15)9(13)7-8-16-2;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H/t9-,10?,11?;/m0./s1
InChIKeyDAFQFJOFYQRVDM-IGUXDCQPSA-N
MW312.93 g/mol
LogP2.28
Rot. Bonds7

About (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119343697) has the molecular formula C12H25ClN2OS2 and a molecular weight of 312.93 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119343697
Molecular FormulaC12H25ClN2OS2
Molecular Weight312.93 g/mol
Exact Mass312.11
IUPAC Name(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCCSC1CCCC1NC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C12H24N2OS2.ClH/c1-3-17-11-6-4-5-10(11)14-12(15)9(13)7-8-16-2;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H/t9-,10?,11?;/m0./s1
InChIKeyDAFQFJOFYQRVDM-IGUXDCQPSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.93
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
(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
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119289805
(2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide
CID 104907460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride (CID 119343697) is (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride is CCSC1CCCC1NC(=O)[C@@H](N)CCSC.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is DAFQFJOFYQRVDM-IGUXDCQPSA-N. The full InChI is InChI=1S/C12H24N2OS2.ClH/c1-3-17-11-6-4-5-10(11)14-12(15)9(13)7-8-16-2;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H/t9-,10?,11?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 312.93 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119343697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).