(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide

C10H15ClN2OS — CID 119324709

IUPAC(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
SMILESCCC(NC(=O)[C@H](C)N)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-3-7(13-10(14)6(2)12)8-4-5-9(11)15-8/h4-7H,3,12H2,1-2H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyRKVDECARAIPYSK-PKPIPKONSA-N
MW246.76 g/mol
LogP2.32
Rot. Bonds4

About (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide

(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide (PubChem CID 119324709) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
PubChem CID119324709
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
SMILESCCC(NC(=O)[C@H](C)N)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-3-7(13-10(14)6(2)12)8-4-5-9(11)15-8/h4-7H,3,12H2,1-2H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyRKVDECARAIPYSK-PKPIPKONSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904
N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119785493
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002220
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
CID 116850381
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide (CID 119324709) is (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide is CCC(NC(=O)[C@H](C)N)c1ccc(Cl)s1.
What is the InChIKey of (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide?
The InChIKey is RKVDECARAIPYSK-PKPIPKONSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-3-7(13-10(14)6(2)12)8-4-5-9(11)15-8/h4-7H,3,12H2,1-2H3,(H,13,14)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide?
(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide has a molecular weight of 246.76 g/mol, XLogP of 2.32, 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-[1-(5-chlorothiophen-2-yl)propyl]propanamide is sourced from PubChem (CID 119324709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).