(1-propylsulfonylpiperidin-2-yl)methanol

C9H19NO3S — CID 43574448

IUPAC(1-propylsulfonylpiperidin-2-yl)methanol
SMILESCCCS(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C9H19NO3S/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11/h9,11H,2-8H2,1H3
InChIKeyXHDVYSBLCOPQRR-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds4

About (1-propylsulfonylpiperidin-2-yl)methanol

(1-propylsulfonylpiperidin-2-yl)methanol (PubChem CID 43574448) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (1-propylsulfonylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(1-propylsulfonylpiperidin-2-yl)methanol
PubChem CID43574448
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(1-propylsulfonylpiperidin-2-yl)methanol
SMILESCCCS(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C9H19NO3S/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11/h9,11H,2-8H2,1H3
InChIKeyXHDVYSBLCOPQRR-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol
CID 116814735
3-[2-(hydroxymethyl)azepan-1-yl]sulfonylpropanoic acid
CID 116634341
N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
CID 64591583
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid
CID 43578571
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256

Frequently Asked Questions

What is the IUPAC name of (1-propylsulfonylpiperidin-2-yl)methanol?
The IUPAC name of (1-propylsulfonylpiperidin-2-yl)methanol (CID 43574448) is (1-propylsulfonylpiperidin-2-yl)methanol.
What is the SMILES notation for (1-propylsulfonylpiperidin-2-yl)methanol?
The canonical SMILES for (1-propylsulfonylpiperidin-2-yl)methanol is CCCS(=O)(=O)N1CCCCC1CO.
What is the InChIKey of (1-propylsulfonylpiperidin-2-yl)methanol?
The InChIKey is XHDVYSBLCOPQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11/h9,11H,2-8H2,1H3.
What are the key properties of (1-propylsulfonylpiperidin-2-yl)methanol?
(1-propylsulfonylpiperidin-2-yl)methanol has a molecular weight of 221.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfonylpiperidin-2-yl)methanol is sourced from PubChem (CID 43574448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).