(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide

C12H20N2O2S — CID 113267099

IUPAC(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-8(2)5-10(13)12(16)14-6-11(15)9-3-4-17-7-9/h3-4,7-8,10-11,15H,5-6,13H2,1-2H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyCKLZLQBDMCFIIP-VUWPPUDQSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide

(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide (PubChem CID 113267099) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
PubChem CID113267099
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-8(2)5-10(13)12(16)14-6-11(15)9-3-4-17-7-9/h3-4,7-8,10-11,15H,5-6,13H2,1-2H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyCKLZLQBDMCFIIP-VUWPPUDQSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 111441578
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
CID 106435892
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
CID 106435414
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 119798622
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide (CID 113267099) is (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide?
The InChIKey is CKLZLQBDMCFIIP-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)5-10(13)12(16)14-6-11(15)9-3-4-17-7-9/h3-4,7-8,10-11,15H,5-6,13H2,1-2H3,(H,14,16)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide?
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide has a molecular weight of 256.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide is sourced from PubChem (CID 113267099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).