1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide

C10H15ClN4O2S — CID 75376381

IUPAC1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C10H15ClN4O2S/c1-12-18(16,17)9-3-2-4-15(7-9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3
InChIKeyLXLSEFOKCMQQTF-UHFFFAOYSA-N
MW290.78 g/mol
LogP0.65
Rot. Bonds3

About 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide

1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide (PubChem CID 75376381) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide
PubChem CID75376381
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C10H15ClN4O2S/c1-12-18(16,17)9-3-2-4-15(7-9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3
InChIKeyLXLSEFOKCMQQTF-UHFFFAOYSA-N
XLogP0.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide?
The IUPAC name of 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide (CID 75376381) is 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide is CNS(=O)(=O)C1CCCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide?
The InChIKey is LXLSEFOKCMQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2S/c1-12-18(16,17)9-3-2-4-15(7-9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3.
What are the key properties of 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide?
1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide has a molecular weight of 290.78 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 75376381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).