2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide

C14H20N2O4S2 — CID 154742383

IUPAC2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccsc1C(=O)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C14H20N2O4S2/c15-22(18,19)12-4-8-21-13(12)14(17)16-5-1-11(9-16)10-2-6-20-7-3-10/h4,8,10-11H,1-3,5-7,9H2,(H2,15,18,19)
InChIKeyNXWLEHIATSTSDW-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.28
Rot. Bonds3

About 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide

2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide (PubChem CID 154742383) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
PubChem CID154742383
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccsc1C(=O)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C14H20N2O4S2/c15-22(18,19)12-4-8-21-13(12)14(17)16-5-1-11(9-16)10-2-6-20-7-3-10/h4,8,10-11H,1-3,5-7,9H2,(H2,15,18,19)
InChIKeyNXWLEHIATSTSDW-UHFFFAOYSA-N
XLogP1.28
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide
CID 95476713
[3-(aminomethyl)pyrrolidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119483874
(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532948
tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55736034
2-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
CID 72861346
(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31829879
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032
3,4-dihydro-1H-isoquinolin-2-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 51284581
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 17221141
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide
CID 119577922

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide (CID 154742383) is 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide is NS(=O)(=O)c1ccsc1C(=O)N1CCC(C2CCOCC2)C1.
What is the InChIKey of 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide?
The InChIKey is NXWLEHIATSTSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c15-22(18,19)12-4-8-21-13(12)14(17)16-5-1-11(9-16)10-2-6-20-7-3-10/h4,8,10-11H,1-3,5-7,9H2,(H2,15,18,19).
What are the key properties of 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide?
2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide has a molecular weight of 344.46 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide is sourced from PubChem (CID 154742383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).