2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol

C12H23NO3S — CID 79609518

IUPAC2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
SMILESCC(O)(CC1CCCN(S(C)(=O)=O)C1)C1CC1
InChIInChI=1S/C12H23NO3S/c1-12(14,11-5-6-11)8-10-4-3-7-13(9-10)17(2,15)16/h10-11,14H,3-9H2,1-2H3
InChIKeyLLVKOPXXQORSEH-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.21
Rot. Bonds4

About 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol

2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol (PubChem CID 79609518) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
PubChem CID79609518
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
SMILESCC(O)(CC1CCCN(S(C)(=O)=O)C1)C1CC1
InChIInChI=1S/C12H23NO3S/c1-12(14,11-5-6-11)8-10-4-3-7-13(9-10)17(2,15)16/h10-11,14H,3-9H2,1-2H3
InChIKeyLLVKOPXXQORSEH-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-Trifluoro-2-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-ol
CID 116535774
1-Methylsulfonyl-3-propan-2-ylpiperidin-3-ol
CID 57829958
N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide
CID 166726899
2,3,3-Trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
CID 170271382
4-(1-Tert-butylsulfonylpiperidin-4-yl)-2,3-dimethylbutan-2-ol
CID 170272001
3-[(1-Methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol
CID 79609274
2,3-Dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609275
3-Methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609280
1-Cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609281
2-Cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609286
1-[(1-Methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-ol
CID 79609287
2-Methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The IUPAC name of 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol (CID 79609518) is 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol is CC(O)(CC1CCCN(S(C)(=O)=O)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The InChIKey is LLVKOPXXQORSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-12(14,11-5-6-11)8-10-4-3-7-13(9-10)17(2,15)16/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol has a molecular weight of 261.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol is sourced from PubChem (CID 79609518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).