(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide

C10H15ClN2OS — CID 70306782

IUPAC(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NC[C@@H](C(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-6(2)13-5-7(10(12)14)8-3-4-9(11)15-8/h3-4,6-7,13H,5H2,1-2H3,(H2,12,14)/t7-/m1/s1
InChIKeyIURRDOAFGPFRTE-SSDOTTSWSA-N
MW246.76 g/mol
LogP1.97
Rot. Bonds5

About (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide

(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 70306782) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide
PubChem CID70306782
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NC[C@@H](C(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-6(2)13-5-7(10(12)14)8-3-4-9(11)15-8/h3-4,6-7,13H,5H2,1-2H3,(H2,12,14)/t7-/m1/s1
InChIKeyIURRDOAFGPFRTE-SSDOTTSWSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
[(2S)-3-amino-2-(5-chlorothiophen-2-yl)-3-oxopropyl] N-oxocarbamate
CID 141061716
2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 103875860
3-(5-chlorothiophen-2-yl)-N-propan-2-ylbutan-1-amine
CID 81018474
1-(azepan-1-yl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanone
CID 54938054
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 43664726
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
CID 43777111
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
CID 117241127
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
CID 61469757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide (CID 70306782) is (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide is CC(C)NC[C@@H](C(N)=O)c1ccc(Cl)s1.
What is the InChIKey of (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is IURRDOAFGPFRTE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-6(2)13-5-7(10(12)14)8-3-4-9(11)15-8/h3-4,6-7,13H,5H2,1-2H3,(H2,12,14)/t7-/m1/s1.
What are the key properties of (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide?
(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 246.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 70306782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).