4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol

C11H22N2OS — CID 62221330

IUPAC4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol
SMILESCN(CC1(O)CCNCC1)C1CCSC1
InChIInChI=1S/C11H22N2OS/c1-13(10-2-7-15-8-10)9-11(14)3-5-12-6-4-11/h10,12,14H,2-9H2,1H3
InChIKeyFKLCRKZUCLXUIQ-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.54
Rot. Bonds3

About 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol

4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol (PubChem CID 62221330) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol
PubChem CID62221330
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol
SMILESCN(CC1(O)CCNCC1)C1CCSC1
InChIInChI=1S/C11H22N2OS/c1-13(10-2-7-15-8-10)9-11(14)3-5-12-6-4-11/h10,12,14H,2-9H2,1H3
InChIKeyFKLCRKZUCLXUIQ-UHFFFAOYSA-N
XLogP0.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol (CID 62221330) is 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol is CN(CC1(O)CCNCC1)C1CCSC1.
What is the InChIKey of 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol?
The InChIKey is FKLCRKZUCLXUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-13(10-2-7-15-8-10)9-11(14)3-5-12-6-4-11/h10,12,14H,2-9H2,1H3.
What are the key properties of 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol?
4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol has a molecular weight of 230.38 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(thiolan-3-yl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 62221330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).