N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide

C10H14N2O3S2 — CID 110737130

IUPACN-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CC(CNS(=O)(=O)c2cccs2)CC1=O
InChIInChI=1S/C10H14N2O3S2/c1-12-7-8(5-9(12)13)6-11-17(14,15)10-3-2-4-16-10/h2-4,8,11H,5-7H2,1H3
InChIKeyWKSCQMKURXLYOB-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.50
Rot. Bonds4

About N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide

N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110737130) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID110737130
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC NameN-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CC(CNS(=O)(=O)c2cccs2)CC1=O
InChIInChI=1S/C10H14N2O3S2/c1-12-7-8(5-9(12)13)6-11-17(14,15)10-3-2-4-16-10/h2-4,8,11H,5-7H2,1H3
InChIKeyWKSCQMKURXLYOB-UHFFFAOYSA-N
XLogP0.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 16919684
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 131952010
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 56760043
N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 114295389
N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide
CID 91354078

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide (CID 110737130) is N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide is CN1CC(CNS(=O)(=O)c2cccs2)CC1=O.
What is the InChIKey of N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is WKSCQMKURXLYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-12-7-8(5-9(12)13)6-11-17(14,15)10-3-2-4-16-10/h2-4,8,11H,5-7H2,1H3.
What are the key properties of N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 274.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110737130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).