[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol

C8H16ClNO3S — CID 61409661

IUPAC[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCCCl)N1CCCC1CO
InChIInChI=1S/C8H16ClNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(10)7-11/h8,11H,1-7H2
InChIKeyJTHINAJNNMUFRA-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.40
Rot. Bonds5

About [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol

[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 61409661) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID61409661
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCCCl)N1CCCC1CO
InChIInChI=1S/C8H16ClNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(10)7-11/h8,11H,1-7H2
InChIKeyJTHINAJNNMUFRA-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
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

[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol
CID 116814735
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889427
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
1-(3-chloropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 43654484
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79594903
3-[2-(hydroxymethyl)azepan-1-yl]sulfonylpropanoic acid
CID 116634341
1-nonylsulfonyl-2-undecylpyrrolidine
CID 59852635

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol (CID 61409661) is [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol is O=S(=O)(CCCCl)N1CCCC1CO.
What is the InChIKey of [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is JTHINAJNNMUFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(10)7-11/h8,11H,1-7H2.
What are the key properties of [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol?
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 241.74 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61409661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).