3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol

C13H21NOS — CID 64806019

IUPAC3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CSC)c1ccccc1
InChIInChI=1S/C13H21NOS/c1-3-9-14-13(10-15,11-16-2)12-7-5-4-6-8-12/h4-8,14-15H,3,9-11H2,1-2H3
InChIKeyLPKGZXGAOHQXIK-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.24
Rot. Bonds7

About 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol

3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol (PubChem CID 64806019) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
PubChem CID64806019
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CSC)c1ccccc1
InChIInChI=1S/C13H21NOS/c1-3-9-14-13(10-15,11-16-2)12-7-5-4-6-8-12/h4-8,14-15H,3,9-11H2,1-2H3
InChIKeyLPKGZXGAOHQXIK-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-2-(propylamino)propan-1-ol
CID 64805973
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64819677
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
4-(2-methylpropylsulfanyl)-2-phenyl-2-(propylamino)butan-1-ol
CID 116696144
3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
CID 64811643
3-(3,3-dimethylbutoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 66227107
2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 116696045
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861
3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
CID 64791689
3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
CID 64809031
2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol
CID 64821042

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol (CID 64806019) is 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol is CCCNC(CO)(CSC)c1ccccc1.
What is the InChIKey of 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol?
The InChIKey is LPKGZXGAOHQXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-9-14-13(10-15,11-16-2)12-7-5-4-6-8-12/h4-8,14-15H,3,9-11H2,1-2H3.
What are the key properties of 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol?
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64806019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).