N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide

C9H13NO2S2 — CID 43427808

IUPACN-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
SMILESCC(CO)NC(=O)CSc1cccs1
InChIInChI=1S/C9H13NO2S2/c1-7(5-11)10-8(12)6-14-9-3-2-4-13-9/h2-4,7,11H,5-6H2,1H3,(H,10,12)
InChIKeyVMSQBLAUQKSMGG-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.34
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide

N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 43427808) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID43427808
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC NameN-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
SMILESCC(CO)NC(=O)CSc1cccs1
InChIInChI=1S/C9H13NO2S2/c1-7(5-11)10-8(12)6-14-9-3-2-4-13-9/h2-4,7,11H,5-6H2,1H3,(H,10,12)
InChIKeyVMSQBLAUQKSMGG-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 79010943
(2S)-4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 107821680
4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 61244401
2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
CID 43358392
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
(2R)-5-methoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107820540
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide
CID 35262137
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
CID 103919645
2-[[(2-thiophen-2-ylsulfanylacetyl)amino]methyl]pentanoic acid
CID 65223064

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide (CID 43427808) is N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide is CC(CO)NC(=O)CSc1cccs1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is VMSQBLAUQKSMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-7(5-11)10-8(12)6-14-9-3-2-4-13-9/h2-4,7,11H,5-6H2,1H3,(H,10,12).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide?
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 231.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 43427808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).