1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol

C10H20ClNO3S — CID 107858937

IUPAC1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)CCCCCl)C1
InChIInChI=1S/C10H20ClNO3S/c1-2-5-10(13)8-12(9-10)16(14,15)7-4-3-6-11/h13H,2-9H2,1H3
InChIKeyIZPANADBCWSHEE-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.18
Rot. Bonds7

About 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol

1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol (PubChem CID 107858937) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol
PubChem CID107858937
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)CCCCCl)C1
InChIInChI=1S/C10H20ClNO3S/c1-2-5-10(13)8-12(9-10)16(14,15)7-4-3-6-11/h13H,2-9H2,1H3
InChIKeyIZPANADBCWSHEE-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
CID 105055894
4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid
CID 107215708
1-[2-(4-aminophenyl)sulfanylethylsulfonyl]-3-propylazetidin-3-ol
CID 107212892
N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809621
1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine
CID 114539403
4-(3-hydroxy-3-methylazetidin-1-yl)sulfonylbutanenitrile
CID 99802834
3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine
CID 83059127
1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 116814717
5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215788
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
CID 103100234
N-[[1-(4-chlorobutylsulfonyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 116815452

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol?
The IUPAC name of 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol (CID 107858937) is 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol?
The canonical SMILES for 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol is CCCC1(O)CN(S(=O)(=O)CCCCCl)C1.
What is the InChIKey of 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol?
The InChIKey is IZPANADBCWSHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-2-5-10(13)8-12(9-10)16(14,15)7-4-3-6-11/h13H,2-9H2,1H3.
What are the key properties of 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol?
1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol has a molecular weight of 269.79 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol is sourced from PubChem (CID 107858937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).