2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol

C8H16ClNO3S — CID 107652578

IUPAC2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(CCCl)N1CCC(CCO)C1
InChIInChI=1S/C8H16ClNO3S/c9-3-6-14(12,13)10-4-1-8(7-10)2-5-11/h8,11H,1-7H2
InChIKeyXNPAALBMDQIORB-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.26
Rot. Bonds5

About 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol

2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 107652578) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID107652578
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(CCCl)N1CCC(CCO)C1
InChIInChI=1S/C8H16ClNO3S/c9-3-6-14(12,13)10-4-1-8(7-10)2-5-11/h8,11H,1-7H2
InChIKeyXNPAALBMDQIORB-UHFFFAOYSA-N
XLogP0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114798317
3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylethanethioamide
CID 114797660
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
CID 114799312
N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 114386511
3-(2-chloroethyl)-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 114801945
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
2-[1-[[4-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114797376
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 115744998

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol (CID 107652578) is 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol is O=S(=O)(CCCl)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is XNPAALBMDQIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c9-3-6-14(12,13)10-4-1-8(7-10)2-5-11/h8,11H,1-7H2.
What are the key properties of 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 241.74 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 107652578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).