(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol

C11H22N2O3S — CID 107225019

IUPAC(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
SMILESCC1CCCN(S(=O)(=O)N2CCC[C@H](O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-10-4-2-6-12(8-10)17(15,16)13-7-3-5-11(14)9-13/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeySGCQSPHXJMTPPL-DTIOYNMSSA-N
MW262.37 g/mol
LogP0.42
Rot. Bonds2

About (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol

(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol (PubChem CID 107225019) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
PubChem CID107225019
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
SMILESCC1CCCN(S(=O)(=O)N2CCC[C@H](O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-10-4-2-6-12(8-10)17(15,16)13-7-3-5-11(14)9-13/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeySGCQSPHXJMTPPL-DTIOYNMSSA-N
XLogP0.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol (CID 107225019) is (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol is CC1CCCN(S(=O)(=O)N2CCC[C@H](O)C2)C1.
What is the InChIKey of (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol?
The InChIKey is SGCQSPHXJMTPPL-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10-4-2-6-12(8-10)17(15,16)13-7-3-5-11(14)9-13/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol?
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol has a molecular weight of 262.37 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 107225019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).