3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide

C11H22N2OS — CID 124844755

IUPAC3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide
SMILESCCS[C@H]1CCC[C@@H]1NCCC(=O)NC
InChIInChI=1S/C11H22N2OS/c1-3-15-10-6-4-5-9(10)13-8-7-11(14)12-2/h9-10,13H,3-8H2,1-2H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyGSTKSZOSMKSBOY-UWVGGRQHSA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds6

About 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide

3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide (PubChem CID 124844755) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide
PubChem CID124844755
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide
SMILESCCS[C@H]1CCC[C@@H]1NCCC(=O)NC
InChIInChI=1S/C11H22N2OS/c1-3-15-10-6-4-5-9(10)13-8-7-11(14)12-2/h9-10,13H,3-8H2,1-2H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyGSTKSZOSMKSBOY-UWVGGRQHSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
CID 99829767
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
CID 62742465
N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide
CID 99790709
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
ethyl 4-[(2-ethylsulfanylcyclopentyl)amino]-4-oxobutanoate
CID 113249263
3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
4-[(2-ethylsulfanylcyclohexyl)carbamoylamino]butanoic acid
CID 122005456
N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide
CID 119808963
N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide
CID 124681039
N-methyl-3-[(2-methyloxolan-3-yl)amino]propanamide
CID 115336497
methyl 3-[2-(propylamino)cycloheptyl]sulfanylpropanoate
CID 64615405
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide?
The IUPAC name of 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide (CID 124844755) is 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide is CCS[C@H]1CCC[C@@H]1NCCC(=O)NC.
What is the InChIKey of 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide?
The InChIKey is GSTKSZOSMKSBOY-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-15-10-6-4-5-9(10)13-8-7-11(14)12-2/h9-10,13H,3-8H2,1-2H3,(H,12,14)/t9-,10-/m0/s1.
What are the key properties of 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide?
3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide is sourced from PubChem (CID 124844755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).