3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol

C10H13Cl2NOS — CID 64805325

IUPAC3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NOS/c1-13-8(5-14)6-15-10-4-7(11)2-3-9(10)12/h2-4,8,13-14H,5-6H2,1H3
InChIKeyXQNCUUPEKQDLFV-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.67
Rot. Bonds5

About 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol

3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol (PubChem CID 64805325) has the molecular formula C10H13Cl2NOS and a molecular weight of 266.19 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
PubChem CID64805325
Molecular FormulaC10H13Cl2NOS
Molecular Weight266.19 g/mol
Exact Mass265.01
IUPAC Name3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NOS/c1-13-8(5-14)6-15-10-4-7(11)2-3-9(10)12/h2-4,8,13-14H,5-6H2,1H3
InChIKeyXQNCUUPEKQDLFV-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64807421
4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol
CID 64805734
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine
CID 114228886
2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 64620650
1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol
CID 64807605
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
4-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63033407
2-acetamido-3-(2,5-dichlorophenyl)sulfanylpropanoic acid
CID 64583085
methyl (3R)-4-(2,5-dichlorophenyl)sulfanyl-3-hydroxybutanoate
CID 111753440

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol (CID 64805325) is 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol is CNC(CO)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol?
The InChIKey is XQNCUUPEKQDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NOS/c1-13-8(5-14)6-15-10-4-7(11)2-3-9(10)12/h2-4,8,13-14H,5-6H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol?
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol has a molecular weight of 266.19 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64805325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).