N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide

C15H22N2O3S2 — CID 95321388

IUPACN-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1
InChIInChI=1S/C15H22N2O3S2/c18-15(4-3-12-5-8-21-9-12)16-13-10-22(19,20)11-14(13)17-6-1-2-7-17/h5,8-9,13-14H,1-4,6-7,10-11H2,(H,16,18)/t13-,14+/m1/s1
InChIKeyGDJBEPYNJKSGMI-KGLIPLIRSA-N
MW342.49 g/mol
LogP1.06
Rot. Bonds5

About N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide

N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide (PubChem CID 95321388) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide
PubChem CID95321388
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1
InChIInChI=1S/C15H22N2O3S2/c18-15(4-3-12-5-8-21-9-12)16-13-10-22(19,20)11-14(13)17-6-1-2-7-17/h5,8-9,13-14H,1-4,6-7,10-11H2,(H,16,18)/t13-,14+/m1/s1
InChIKeyGDJBEPYNJKSGMI-KGLIPLIRSA-N
XLogP1.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide
CID 94867277
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide
CID 97018062
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide
CID 52523504
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
CID 95281956
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
CID 95313255
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 95619258
N-[(3R,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 95619265
1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol
CID 61474115
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
CID 97017849

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide (CID 95321388) is N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1.
What is the InChIKey of N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is GDJBEPYNJKSGMI-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c18-15(4-3-12-5-8-21-9-12)16-13-10-22(19,20)11-14(13)17-6-1-2-7-17/h5,8-9,13-14H,1-4,6-7,10-11H2,(H,16,18)/t13-,14+/m1/s1.
What are the key properties of N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide?
N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 342.49 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 95321388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).