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

C15H25N5O2S — CID 53185809

IUPACN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C15H25N5O2S/c1-2-23(21,22)18-13-6-5-9-20(11-13)15-10-14(16-12-17-15)19-7-3-4-8-19/h10,12-13,18H,2-9,11H2,1H3
InChIKeyZJEIDYNEBDORIH-UHFFFAOYSA-N
MW339.47 g/mol
LogP0.98
Rot. Bonds5

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

N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide (PubChem CID 53185809) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide
PubChem CID53185809
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C15H25N5O2S/c1-2-23(21,22)18-13-6-5-9-20(11-13)15-10-14(16-12-17-15)19-7-3-4-8-19/h10,12-13,18H,2-9,11H2,1H3
InChIKeyZJEIDYNEBDORIH-UHFFFAOYSA-N
XLogP0.98
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.98
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]ethanesulfonamide?
The IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide (CID 53185809) is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide?
The InChIKey is ZJEIDYNEBDORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-2-23(21,22)18-13-6-5-9-20(11-13)15-10-14(16-12-17-15)19-7-3-4-8-19/h10,12-13,18H,2-9,11H2,1H3.
What are the key properties of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide?
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide has a molecular weight of 339.47 g/mol, XLogP of 0.98, 5 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]ethanesulfonamide is sourced from PubChem (CID 53185809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).