N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide

C10H16N4O3S — CID 71807648

IUPACN-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
SMILESCOc1ncc(NS(C)(=O)=O)c(N2CCCC2)n1
InChIInChI=1S/C10H16N4O3S/c1-17-10-11-7-8(13-18(2,15)16)9(12-10)14-5-3-4-6-14/h7,13H,3-6H2,1-2H3
InChIKeySBSUITQHGFLCSV-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.46
Rot. Bonds4

About N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide

N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide (PubChem CID 71807648) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
PubChem CID71807648
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
SMILESCOc1ncc(NS(C)(=O)=O)c(N2CCCC2)n1
InChIInChI=1S/C10H16N4O3S/c1-17-10-11-7-8(13-18(2,15)16)9(12-10)14-5-3-4-6-14/h7,13H,3-6H2,1-2H3
InChIKeySBSUITQHGFLCSV-UHFFFAOYSA-N
XLogP0.46
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The IUPAC name of N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide (CID 71807648) is N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide is COc1ncc(NS(C)(=O)=O)c(N2CCCC2)n1.
What is the InChIKey of N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The InChIKey is SBSUITQHGFLCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-17-10-11-7-8(13-18(2,15)16)9(12-10)14-5-3-4-6-14/h7,13H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 71807648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).