N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide

C12H17NO2S2 — CID 35262137

IUPACN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1cccs1)[C@@H]1CCCO1
InChIInChI=1S/C12H17NO2S2/c1-9(10-4-2-6-15-10)13-11(14)8-17-12-5-3-7-16-12/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyHTDBMQZOUGHBRX-UWVGGRQHSA-N
MW271.41 g/mol
LogP2.52
Rot. Bonds5

About N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide

N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide (PubChem CID 35262137) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide
PubChem CID35262137
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1cccs1)[C@@H]1CCCO1
InChIInChI=1S/C12H17NO2S2/c1-9(10-4-2-6-15-10)13-11(14)8-17-12-5-3-7-16-12/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyHTDBMQZOUGHBRX-UWVGGRQHSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 124839099
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43427808
(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100836454
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 100840537
(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 79010943
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95134541
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
N-[1-(oxolan-2-yl)ethyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 136578840
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide (CID 35262137) is N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide is C[C@H](NC(=O)CSc1cccs1)[C@@H]1CCCO1.
What is the InChIKey of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is HTDBMQZOUGHBRX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-9(10-4-2-6-15-10)13-11(14)8-17-12-5-3-7-16-12/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide?
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 271.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 35262137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).