1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

C15H22ClNOS — CID 106246004

IUPAC1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNOS/c1-15(18,10-19-2)9-17-12-7-11(8-12)13-5-3-4-6-14(13)16/h3-6,11-12,17-18H,7-10H2,1-2H3
InChIKeyYMZCBASFKASZAX-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.29
Rot. Bonds6

About 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246004) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246004
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNOS/c1-15(18,10-19-2)9-17-12-7-11(8-12)13-5-3-4-6-14(13)16/h3-6,11-12,17-18H,7-10H2,1-2H3
InChIKeyYMZCBASFKASZAX-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246004) is 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is YMZCBASFKASZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-15(18,10-19-2)9-17-12-7-11(8-12)13-5-3-4-6-14(13)16/h3-6,11-12,17-18H,7-10H2,1-2H3.
What are the key properties of 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 299.87 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).