(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide

C9H14N2OS — CID 131107412

IUPAC(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)[C@H](C)N)c1
InChIInChI=1S/C9H14N2OS/c1-6-3-8(13-5-6)4-11-9(12)7(2)10/h3,5,7H,4,10H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyIDBTVOOJKPWDOO-ZETCQYMHSA-N
MW198.29 g/mol
LogP1.02
Rot. Bonds3

About (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide

(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide (PubChem CID 131107412) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
PubChem CID131107412
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)[C@H](C)N)c1
InChIInChI=1S/C9H14N2OS/c1-6-3-8(13-5-6)4-11-9(12)7(2)10/h3,5,7H,4,10H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyIDBTVOOJKPWDOO-ZETCQYMHSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119731588
2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide
CID 131008572
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
CID 18656689
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705
ethyl 2-methyl-3-(4-methylthiophen-2-yl)propanoate
CID 176838273
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea
CID 128687498
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide (CID 131107412) is (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide is Cc1csc(CNC(=O)[C@H](C)N)c1.
What is the InChIKey of (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is IDBTVOOJKPWDOO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-3-8(13-5-6)4-11-9(12)7(2)10/h3,5,7H,4,10H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide?
(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 198.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 131107412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).