(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide

C9H14N2OS — CID 79023085

IUPAC(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
SMILESCC[C@H](N)C(=O)NCc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-2-8(10)9(12)11-5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyUZBTWWVPPHNPLC-QMMMGPOBSA-N
MW198.29 g/mol
LogP1.10
Rot. Bonds4

About (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide

(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide (PubChem CID 79023085) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
PubChem CID79023085
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
SMILESCC[C@H](N)C(=O)NCc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-2-8(10)9(12)11-5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyUZBTWWVPPHNPLC-QMMMGPOBSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
2-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 63243966
(2S)-2-amino-N-(furan-3-ylmethyl)butanamide
CID 104874097
(2S)-2-amino-N-[(5-bromothiophen-3-yl)methyl]butanamide;hydrochloride
CID 119294090
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 76988786
2-amino-N-[(4-cyanophenyl)methyl]butanamide
CID 60918435
2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006
2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 78069023
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide (CID 79023085) is (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide is CC[C@H](N)C(=O)NCc1ccsc1.
What is the InChIKey of (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide?
The InChIKey is UZBTWWVPPHNPLC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-8(10)9(12)11-5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide?
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide has a molecular weight of 198.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide is sourced from PubChem (CID 79023085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).