1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol

C10H20ClNO3S — CID 103526899

IUPAC1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol
SMILESCC(C)C1(O)CN(S(=O)(=O)CCCCCl)C1
InChIInChI=1S/C10H20ClNO3S/c1-9(2)10(13)7-12(8-10)16(14,15)6-4-3-5-11/h9,13H,3-8H2,1-2H3
InChIKeyMCZDUQOFUXONBX-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.04
Rot. Bonds6

About 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol

1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol (PubChem CID 103526899) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol
PubChem CID103526899
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol
SMILESCC(C)C1(O)CN(S(=O)(=O)CCCCCl)C1
InChIInChI=1S/C10H20ClNO3S/c1-9(2)10(13)7-12(8-10)16(14,15)6-4-3-5-11/h9,13H,3-8H2,1-2H3
InChIKeyMCZDUQOFUXONBX-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.04
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-Ethyl-1-(2-methylpropylsulfonyl)azetidin-3-ol
CID 65928343
3-Ethyl-1-(3-methylbutylsulfonyl)azetidin-3-ol
CID 65929809
1-(2,2-Dimethylpropylsulfonyl)-3-propan-2-ylazetidin-3-ol
CID 65934522
1-Ethylsulfonyl-3-propan-2-ylazetidin-3-ol
CID 65934544
3-Propan-2-yl-1-propylsulfonylazetidin-3-ol
CID 65934736
1-(2-Methylpropylsulfonyl)-3-propan-2-ylazetidin-3-ol
CID 65935540
1-Butylsulfonyl-3-propan-2-ylazetidin-3-ol
CID 65935942
3-Propan-2-yl-1-propan-2-ylsulfonylazetidin-3-ol
CID 65936122
1-(3-Methylbutylsulfonyl)-3-propan-2-ylazetidin-3-ol
CID 65937343
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide
CID 79589668
1-(4-Chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol
CID 102685195
1-(4-Chlorobutylsulfonyl)-3-ethylazetidin-3-ol
CID 106543919

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol (CID 103526899) is 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol is CC(C)C1(O)CN(S(=O)(=O)CCCCCl)C1.
What is the InChIKey of 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol?
The InChIKey is MCZDUQOFUXONBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-9(2)10(13)7-12(8-10)16(14,15)6-4-3-5-11/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol?
1-(4-chlorobutylsulfonyl)-3-propan-2-ylazetidin-3-ol has a molecular weight of 269.79 g/mol, XLogP of 1.04, 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-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 103526899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).