3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol

C15H22ClNO3S — CID 102848383

IUPAC3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol
SMILESO=S(=O)(CCN(CCCO)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3S/c16-13-5-7-15(8-6-13)21(19,20)12-10-17(9-2-11-18)14-3-1-4-14/h5-8,14,18H,1-4,9-12H2
InChIKeyFQEYFCIMHVWFEE-UHFFFAOYSA-N
MW331.86 g/mol
LogP2.35
Rot. Bonds8

About 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol

3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol (PubChem CID 102848383) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol
PubChem CID102848383
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol
SMILESO=S(=O)(CCN(CCCO)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3S/c16-13-5-7-15(8-6-13)21(19,20)12-10-17(9-2-11-18)14-3-1-4-14/h5-8,14,18H,1-4,9-12H2
InChIKeyFQEYFCIMHVWFEE-UHFFFAOYSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine
CID 55828003
1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
CID 102864346
2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol
CID 102860686
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[2-[cyclobutyl(2-hydroxyethyl)amino]ethylsulfonyl]benzonitrile
CID 102676606
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
3-[2-[cyclohexyl(2-hydroxyethyl)amino]ethylsulfonyl]benzonitrile
CID 109394834
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
CID 62046870
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol (CID 102848383) is 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol is O=S(=O)(CCN(CCCO)C1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol?
The InChIKey is FQEYFCIMHVWFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c16-13-5-7-15(8-6-13)21(19,20)12-10-17(9-2-11-18)14-3-1-4-14/h5-8,14,18H,1-4,9-12H2.
What are the key properties of 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol?
3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol has a molecular weight of 331.86 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102848383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).