4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol

C13H19Cl2NOS — CID 64805734

IUPAC4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NOS/c1-2-6-16-11(9-17)5-7-18-13-8-10(14)3-4-12(13)15/h3-4,8,11,16-17H,2,5-7,9H2,1H3
InChIKeyFJZGFDHIRYBNDG-UHFFFAOYSA-N
MW308.27 g/mol
LogP3.84
Rot. Bonds8

About 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol

4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol (PubChem CID 64805734) has the molecular formula C13H19Cl2NOS and a molecular weight of 308.27 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol
PubChem CID64805734
Molecular FormulaC13H19Cl2NOS
Molecular Weight308.27 g/mol
Exact Mass307.06
IUPAC Name4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NOS/c1-2-6-16-11(9-17)5-7-18-13-8-10(14)3-4-12(13)15/h3-4,8,11,16-17H,2,5-7,9H2,1H3
InChIKeyFJZGFDHIRYBNDG-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol
CID 64807605
1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine
CID 64621822
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64805325
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
(2R)-2-[2-(2,5-dichlorophenyl)sulfanylethylamino]propanoic acid
CID 83194055
3-(2,5-dichlorophenyl)sulfanyl-N-ethylpropan-1-amine
CID 61386021
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 55026719
4-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63033407
(2S,3S)-2-[2-(2,5-dichlorophenyl)sulfanylethylamino]-3-methylpentanoic acid
CID 122099941
N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
2-[2-(2,5-dichlorophenyl)sulfanylethylamino]-3-methylbutanoic acid
CID 43468457

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol (CID 64805734) is 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol is CCCNC(CO)CCSc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol?
The InChIKey is FJZGFDHIRYBNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NOS/c1-2-6-16-11(9-17)5-7-18-13-8-10(14)3-4-12(13)15/h3-4,8,11,16-17H,2,5-7,9H2,1H3.
What are the key properties of 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol?
4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol has a molecular weight of 308.27 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64805734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).