[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol

C11H21NO3S — CID 79622416

IUPAC[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol
SMILESCS(=O)(=O)N1CCCC(CC2(CO)CC2)C1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)12-6-2-3-10(8-12)7-11(9-13)4-5-11/h10,13H,2-9H2,1H3
InChIKeyBZICQSUDWKPUOI-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.82
Rot. Bonds4

About [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol

[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol (PubChem CID 79622416) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol
PubChem CID79622416
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol
SMILESCS(=O)(=O)N1CCCC(CC2(CO)CC2)C1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)12-6-2-3-10(8-12)7-11(9-13)4-5-11/h10,13H,2-9H2,1H3
InChIKeyBZICQSUDWKPUOI-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol (CID 79622416) is [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol is CS(=O)(=O)N1CCCC(CC2(CO)CC2)C1.
What is the InChIKey of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol?
The InChIKey is BZICQSUDWKPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-16(14,15)12-6-2-3-10(8-12)7-11(9-13)4-5-11/h10,13H,2-9H2,1H3.
What are the key properties of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol?
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol has a molecular weight of 247.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 79622416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).