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

C10H18ClNO3S — CID 102685195

IUPAC1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol
SMILESO=S(=O)(CCCCCl)N1CC(O)(C2CC2)C1
InChIInChI=1S/C10H18ClNO3S/c11-5-1-2-6-16(14,15)12-7-10(13,8-12)9-3-4-9/h9,13H,1-8H2
InChIKeySUPSWAXSAZDZGY-UHFFFAOYSA-N
MW267.78 g/mol
LogP0.79
Rot. Bonds6

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

1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol (PubChem CID 102685195) has the molecular formula C10H18ClNO3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol
PubChem CID102685195
Molecular FormulaC10H18ClNO3S
Molecular Weight267.78 g/mol
Exact Mass267.07
IUPAC Name1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol
SMILESO=S(=O)(CCCCCl)N1CC(O)(C2CC2)C1
InChIInChI=1S/C10H18ClNO3S/c11-5-1-2-6-16(14,15)12-7-10(13,8-12)9-3-4-9/h9,13H,1-8H2
InChIKeySUPSWAXSAZDZGY-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 50.79
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

3-Cyclopropyl-1-(2-methylpropylsulfonyl)azetidin-3-ol
CID 65934357
1-Butylsulfonyl-3-cyclopropylazetidin-3-ol
CID 65934759
3-Cyclopropyl-1-propylsulfonylazetidin-3-ol
CID 65935950
3-Cyclopropyl-1-(3-methylbutylsulfonyl)azetidin-3-ol
CID 65936155
3-Cyclopropyl-1-(cyclopropylmethylsulfonyl)azetidin-3-ol
CID 65936158
3-Cyclopropyl-1-(2,2-dimethylpropylsulfonyl)azetidin-3-ol
CID 65936346
3-Cyclopropyl-1-ethylsulfonylazetidin-3-ol
CID 65936560
3-Cyclopropyl-1-propan-2-ylsulfonylazetidin-3-ol
CID 65937149
1-(Cyclopropylmethylsulfonyl)-3-propylazetidin-3-ol
CID 65943896
1-(4-Chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol
CID 103526899
1-Cyclopentylsulfonyl-3-cyclopropylazetidin-3-ol
CID 105361299
1-(4-Chlorobutylsulfonyl)-3-ethylazetidin-3-ol
CID 106543919

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol?
The IUPAC name of 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol (CID 102685195) is 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol.
What is the SMILES notation for 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol?
The canonical SMILES for 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol is O=S(=O)(CCCCCl)N1CC(O)(C2CC2)C1.
What is the InChIKey of 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol?
The InChIKey is SUPSWAXSAZDZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3S/c11-5-1-2-6-16(14,15)12-7-10(13,8-12)9-3-4-9/h9,13H,1-8H2.
What are the key properties of 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol?
1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol has a molecular weight of 267.78 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol is sourced from PubChem (CID 102685195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).