N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide

C12H20N4O2S — CID 16671837

IUPACN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-19(17,18)15-10-11-4-8-16(9-5-11)12-13-6-3-7-14-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3
InChIKeyKZRMWBIQAHPKBS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.63
Rot. Bonds5

About N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide

N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide (PubChem CID 16671837) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide
PubChem CID16671837
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-19(17,18)15-10-11-4-8-16(9-5-11)12-13-6-3-7-14-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3
InChIKeyKZRMWBIQAHPKBS-UHFFFAOYSA-N
XLogP0.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide (CID 16671837) is N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide?
The InChIKey is KZRMWBIQAHPKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-19(17,18)15-10-11-4-8-16(9-5-11)12-13-6-3-7-14-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3.
What are the key properties of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide?
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 16671837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).