(1-propylsulfonylpyrrolidin-2-yl)methanol

C8H17NO3S — CID 61408748

IUPAC(1-propylsulfonylpyrrolidin-2-yl)methanol
SMILESCCCS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C8H17NO3S/c1-2-6-13(11,12)9-5-3-4-8(9)7-10/h8,10H,2-7H2,1H3
InChIKeyKEIKRPDRXRJGDW-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds4

About (1-propylsulfonylpyrrolidin-2-yl)methanol

(1-propylsulfonylpyrrolidin-2-yl)methanol (PubChem CID 61408748) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (1-propylsulfonylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-propylsulfonylpyrrolidin-2-yl)methanol
PubChem CID61408748
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(1-propylsulfonylpyrrolidin-2-yl)methanol
SMILESCCCS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C8H17NO3S/c1-2-6-13(11,12)9-5-3-4-8(9)7-10/h8,10H,2-7H2,1H3
InChIKeyKEIKRPDRXRJGDW-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79594903
[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
CID 111439868
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
1-nonylsulfonyl-2-undecylpyrrolidine
CID 59852635
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514

Frequently Asked Questions

What is the IUPAC name of (1-propylsulfonylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-propylsulfonylpyrrolidin-2-yl)methanol (CID 61408748) is (1-propylsulfonylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-propylsulfonylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-propylsulfonylpyrrolidin-2-yl)methanol is CCCS(=O)(=O)N1CCCC1CO.
What is the InChIKey of (1-propylsulfonylpyrrolidin-2-yl)methanol?
The InChIKey is KEIKRPDRXRJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-6-13(11,12)9-5-3-4-8(9)7-10/h8,10H,2-7H2,1H3.
What are the key properties of (1-propylsulfonylpyrrolidin-2-yl)methanol?
(1-propylsulfonylpyrrolidin-2-yl)methanol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfonylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 61408748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).