[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol

C7H14ClNO3S — CID 107858946

IUPAC[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol
SMILESO=S(=O)(CCCCl)N1CC(CO)C1
InChIInChI=1S/C7H14ClNO3S/c8-2-1-3-13(11,12)9-4-7(5-9)6-10/h7,10H,1-6H2
InChIKeyFBKPPMMBESDEDR-UHFFFAOYSA-N
MW227.71 g/mol
LogP-0.13
Rot. Bonds5

About [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol

[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol (PubChem CID 107858946) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol
PubChem CID107858946
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol
SMILESO=S(=O)(CCCCl)N1CC(CO)C1
InChIInChI=1S/C7H14ClNO3S/c8-2-1-3-13(11,12)9-4-7(5-9)6-10/h7,10H,1-6H2
InChIKeyFBKPPMMBESDEDR-UHFFFAOYSA-N
XLogP-0.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 5-0.13
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-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine
CID 114539403
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
CID 61248403
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
CID 63174919
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 103638881
methyl 1-(3-chloropropylsulfonyl)piperidine-3-carboxylate
CID 115536328
3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol
CID 114551588

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol (CID 107858946) is [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol is O=S(=O)(CCCCl)N1CC(CO)C1.
What is the InChIKey of [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol?
The InChIKey is FBKPPMMBESDEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c8-2-1-3-13(11,12)9-4-7(5-9)6-10/h7,10H,1-6H2.
What are the key properties of [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol?
[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol has a molecular weight of 227.71 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol is sourced from PubChem (CID 107858946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).