(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride

C11H23ClN2OS — CID 119342646

IUPAC(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
SMILESCCSC1CCC(N(C)C(=O)[C@H](C)N)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-4-15-10-6-5-9(7-10)13(3)11(14)8(2)12;/h8-10H,4-7,12H2,1-3H3;1H/t8-,9?,10?;/m0./s1
InChIKeyWBQXXGAJSWOASR-AYUROHKDSA-N
MW266.84 g/mol
LogP1.89
Rot. Bonds4

About (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride

(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride (PubChem CID 119342646) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
PubChem CID119342646
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC Name(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
SMILESCCSC1CCC(N(C)C(=O)[C@H](C)N)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-4-15-10-6-5-9(7-10)13(3)11(14)8(2)12;/h8-10H,4-7,12H2,1-3H3;1H/t8-,9?,10?;/m0./s1
InChIKeyWBQXXGAJSWOASR-AYUROHKDSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 119817000
7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
CID 119816970
N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119342642
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
CID 120638288
2-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119817004
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 71971414
(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124683336
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride (CID 119342646) is (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride is CCSC1CCC(N(C)C(=O)[C@H](C)N)C1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride?
The InChIKey is WBQXXGAJSWOASR-AYUROHKDSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-4-15-10-6-5-9(7-10)13(3)11(14)8(2)12;/h8-10H,4-7,12H2,1-3H3;1H/t8-,9?,10?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride?
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119342646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).