(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide

C12H20N2OS — CID 61474644

IUPAC(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCC(Cc1ccsc1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)11(13)12(15)14-9(3)6-10-4-5-16-7-10/h4-5,7-9,11H,6,13H2,1-3H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyCCUYGTKSVKVNBM-UMJHXOGRSA-N
MW240.37 g/mol
LogP1.78
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide

(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide (PubChem CID 61474644) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
PubChem CID61474644
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCC(Cc1ccsc1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)11(13)12(15)14-9(3)6-10-4-5-16-7-10/h4-5,7-9,11H,6,13H2,1-3H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyCCUYGTKSVKVNBM-UMJHXOGRSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 62877508
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide (CID 61474644) is (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide is CC(Cc1ccsc1)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The InChIKey is CCUYGTKSVKVNBM-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)11(13)12(15)14-9(3)6-10-4-5-16-7-10/h4-5,7-9,11H,6,13H2,1-3H3,(H,14,15)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide has a molecular weight of 240.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide is sourced from PubChem (CID 61474644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).