(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide

C14H28N2O2S — CID 119339904

IUPAC(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
SMILESCOCCC1(CNC(=O)[C@@H](N)CCSC)CCCC1
InChIInChI=1S/C14H28N2O2S/c1-18-9-8-14(6-3-4-7-14)11-16-13(17)12(15)5-10-19-2/h12H,3-11,15H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyZVXGNHZZWLBIBE-LBPRGKRZSA-N
MW288.46 g/mol
LogP1.78
Rot. Bonds9

About (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide (PubChem CID 119339904) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
PubChem CID119339904
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
SMILESCOCCC1(CNC(=O)[C@@H](N)CCSC)CCCC1
InChIInChI=1S/C14H28N2O2S/c1-18-9-8-14(6-3-4-7-14)11-16-13(17)12(15)5-10-19-2/h12H,3-11,15H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyZVXGNHZZWLBIBE-LBPRGKRZSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pentanamide
CID 119344547
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
CID 113357272
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylpentanamide;hydrochloride
CID 119812150
(2S)-2-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-methylsulfanylbutanamide
CID 119326675
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820408
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentanamide
CID 103950711
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119345260
2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide
CID 103966706
2-amino-N-[(1-ethylcyclopentyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992658
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide
CID 119820393
2-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 103799994

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide (CID 119339904) is (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide is COCCC1(CNC(=O)[C@@H](N)CCSC)CCCC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide?
The InChIKey is ZVXGNHZZWLBIBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-18-9-8-14(6-3-4-7-14)11-16-13(17)12(15)5-10-19-2/h12H,3-11,15H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide has a molecular weight of 288.46 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119339904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).