[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C14H16N4O3S2 — CID 119059682

IUPAC[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)c2cnc(-c3cccs3)nc2)C1
InChIInChI=1S/C14H16N4O3S2/c15-23(20,21)9-10-3-4-18(8-10)14(19)11-6-16-13(17-7-11)12-2-1-5-22-12/h1-2,5-7,10H,3-4,8-9H2,(H2,15,20,21)
InChIKeyHKHHZQOFHOSMRR-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.96
Rot. Bonds4

About [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 119059682) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID119059682
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)c2cnc(-c3cccs3)nc2)C1
InChIInChI=1S/C14H16N4O3S2/c15-23(20,21)9-10-3-4-18(8-10)14(19)11-6-16-13(17-7-11)12-2-1-5-22-12/h1-2,5-7,10H,3-4,8-9H2,(H2,15,20,21)
InChIKeyHKHHZQOFHOSMRR-UHFFFAOYSA-N
XLogP0.96
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119075063
[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138024559
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118767416
[1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119071782
[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125154744
[(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173093
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138810944
[1-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137340590

Frequently Asked Questions

What is the IUPAC name of [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 119059682) is [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(C(=O)c2cnc(-c3cccs3)nc2)C1.
What is the InChIKey of [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is HKHHZQOFHOSMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c15-23(20,21)9-10-3-4-18(8-10)14(19)11-6-16-13(17-7-11)12-2-1-5-22-12/h1-2,5-7,10H,3-4,8-9H2,(H2,15,20,21).
What are the key properties of [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 352.44 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 119059682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).