N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide

C14H23N5O2S — CID 53185808

IUPACN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C14H23N5O2S/c1-22(20,21)17-12-5-4-8-19(10-12)14-9-13(15-11-16-14)18-6-2-3-7-18/h9,11-12,17H,2-8,10H2,1H3
InChIKeySXCLCXMEBOBYSE-UHFFFAOYSA-N
MW325.44 g/mol
LogP0.59
Rot. Bonds4

About N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide

N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 53185808) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID53185808
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C14H23N5O2S/c1-22(20,21)17-12-5-4-8-19(10-12)14-9-13(15-11-16-14)18-6-2-3-7-18/h9,11-12,17H,2-8,10H2,1H3
InChIKeySXCLCXMEBOBYSE-UHFFFAOYSA-N
XLogP0.59
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide (CID 53185808) is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is SXCLCXMEBOBYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-22(20,21)17-12-5-4-8-19(10-12)14-9-13(15-11-16-14)18-6-2-3-7-18/h9,11-12,17H,2-8,10H2,1H3.
What are the key properties of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 325.44 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 53185808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).