3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol

C12H16ClNOS — CID 64806375

IUPAC3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CSc1ccccc1Cl)NC1CC1
InChIInChI=1S/C12H16ClNOS/c13-11-3-1-2-4-12(11)16-8-10(7-15)14-9-5-6-9/h1-4,9-10,14-15H,5-8H2
InChIKeyQVIKMKQTRZXLDL-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.55
Rot. Bonds6

About 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol

3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol (PubChem CID 64806375) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol
PubChem CID64806375
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CSc1ccccc1Cl)NC1CC1
InChIInChI=1S/C12H16ClNOS/c13-11-3-1-2-4-12(11)16-8-10(7-15)14-9-5-6-9/h1-4,9-10,14-15H,5-8H2
InChIKeyQVIKMKQTRZXLDL-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-chlorophenyl)sulfanylpropane-1,2-diol
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CID 64820656
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
CID 64806225
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CID 60624624
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
CID 61385919
2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol
CID 66154112
1-(4-tert-butylcyclohexyl)-2-(2-chlorophenyl)sulfanylethanol
CID 66153723
2-(cyclopropylamino)-3-phenoxypropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol (CID 64806375) is 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol is OCC(CSc1ccccc1Cl)NC1CC1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol?
The InChIKey is QVIKMKQTRZXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c13-11-3-1-2-4-12(11)16-8-10(7-15)14-9-5-6-9/h1-4,9-10,14-15H,5-8H2.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol?
3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol has a molecular weight of 257.79 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 64806375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).