N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide

C17H22N4O2S — CID 122299676

IUPACN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3)cn2)CC1
InChIInChI=1S/C17H22N4O2S/c1-14-7-9-21(10-8-14)17-18-11-16(12-19-17)20-24(22,23)13-15-5-3-2-4-6-15/h2-6,11-12,14,20H,7-10,13H2,1H3
InChIKeyVIBIUCSBDAQQEP-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide (PubChem CID 122299676) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide
PubChem CID122299676
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3)cn2)CC1
InChIInChI=1S/C17H22N4O2S/c1-14-7-9-21(10-8-14)17-18-11-16(12-19-17)20-24(22,23)13-15-5-3-2-4-6-15/h2-6,11-12,14,20H,7-10,13H2,1H3
InChIKeyVIBIUCSBDAQQEP-UHFFFAOYSA-N
XLogP2.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide (CID 122299676) is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide is CC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide?
The InChIKey is VIBIUCSBDAQQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-14-7-9-21(10-8-14)17-18-11-16(12-19-17)20-24(22,23)13-15-5-3-2-4-6-15/h2-6,11-12,14,20H,7-10,13H2,1H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide?
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 122299676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).