[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol

C11H17N3O3S — CID 81237350

IUPAC[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
SMILESCS(=O)(=O)N1CCN(c2ccncc2CO)CC1
InChIInChI=1S/C11H17N3O3S/c1-18(16,17)14-6-4-13(5-7-14)11-2-3-12-8-10(11)9-15/h2-3,8,15H,4-7,9H2,1H3
InChIKeySNZJHUNECQPWBR-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.34
Rot. Bonds3

About [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol

[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol (PubChem CID 81237350) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
PubChem CID81237350
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
SMILESCS(=O)(=O)N1CCN(c2ccncc2CO)CC1
InChIInChI=1S/C11H17N3O3S/c1-18(16,17)14-6-4-13(5-7-14)11-2-3-12-8-10(11)9-15/h2-3,8,15H,4-7,9H2,1H3
InChIKeySNZJHUNECQPWBR-UHFFFAOYSA-N
XLogP-0.34
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol (CID 81237350) is [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol is CS(=O)(=O)N1CCN(c2ccncc2CO)CC1.
What is the InChIKey of [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol?
The InChIKey is SNZJHUNECQPWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-18(16,17)14-6-4-13(5-7-14)11-2-3-12-8-10(11)9-15/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol?
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol has a molecular weight of 271.34 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 81237350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).