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

C13H25NO3S — CID 79609286

IUPAC2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
SMILESCCC(O)(CC1CCCN(S(C)(=O)=O)C1)C1CC1
InChIInChI=1S/C13H25NO3S/c1-3-13(15,12-6-7-12)9-11-5-4-8-14(10-11)18(2,16)17/h11-12,15H,3-10H2,1-2H3
InChIKeyNSFQAXBVOVXZHM-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.60
Rot. Bonds5

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

2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol (PubChem CID 79609286) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
PubChem CID79609286
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
SMILESCCC(O)(CC1CCCN(S(C)(=O)=O)C1)C1CC1
InChIInChI=1S/C13H25NO3S/c1-3-13(15,12-6-7-12)9-11-5-4-8-14(10-11)18(2,16)17/h11-12,15H,3-10H2,1-2H3
InChIKeyNSFQAXBVOVXZHM-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The IUPAC name of 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol (CID 79609286) is 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol is CCC(O)(CC1CCCN(S(C)(=O)=O)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The InChIKey is NSFQAXBVOVXZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-3-13(15,12-6-7-12)9-11-5-4-8-14(10-11)18(2,16)17/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
2-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol has a molecular weight of 275.41 g/mol, XLogP of 1.60, 5 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)butan-2-ol is sourced from PubChem (CID 79609286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).