N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide

C9H14N4O2S — CID 71790180

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H14N4O2S/c1-16(14,15)12-8-6-10-9(11-7-8)13-4-2-3-5-13/h6-7,12H,2-5H2,1H3
InChIKeyBVJZPRTVUCGFAK-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.45
Rot. Bonds3

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide (PubChem CID 71790180) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
PubChem CID71790180
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H14N4O2S/c1-16(14,15)12-8-6-10-9(11-7-8)13-4-2-3-5-13/h6-7,12H,2-5H2,1H3
InChIKeyBVJZPRTVUCGFAK-UHFFFAOYSA-N
XLogP0.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide (CID 71790180) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide is CS(=O)(=O)Nc1cnc(N2CCCC2)nc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The InChIKey is BVJZPRTVUCGFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-16(14,15)12-8-6-10-9(11-7-8)13-4-2-3-5-13/h6-7,12H,2-5H2,1H3.
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 71790180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).