3-phenylsulfanyl-2-(propylamino)propan-1-ol

C12H19NOS — CID 64819067

IUPAC3-phenylsulfanyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CSc1ccccc1
InChIInChI=1S/C12H19NOS/c1-2-8-13-11(9-14)10-15-12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
InChIKeyZIJCQUOLONHULT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.14
Rot. Bonds7

About 3-phenylsulfanyl-2-(propylamino)propan-1-ol

3-phenylsulfanyl-2-(propylamino)propan-1-ol (PubChem CID 64819067) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-phenylsulfanyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-phenylsulfanyl-2-(propylamino)propan-1-ol
PubChem CID64819067
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-phenylsulfanyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CSc1ccccc1
InChIInChI=1S/C12H19NOS/c1-2-8-13-11(9-14)10-15-12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
InChIKeyZIJCQUOLONHULT-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride
CID 22723357
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
CID 64648095
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
CID 65143155
N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
CID 65143673
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
3-(2-phenylphenoxy)-2-(propylamino)propan-1-ol
CID 64802633

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-phenylsulfanyl-2-(propylamino)propan-1-ol (CID 64819067) is 3-phenylsulfanyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-phenylsulfanyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-phenylsulfanyl-2-(propylamino)propan-1-ol is CCCNC(CO)CSc1ccccc1.
What is the InChIKey of 3-phenylsulfanyl-2-(propylamino)propan-1-ol?
The InChIKey is ZIJCQUOLONHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-8-13-11(9-14)10-15-12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3.
What are the key properties of 3-phenylsulfanyl-2-(propylamino)propan-1-ol?
3-phenylsulfanyl-2-(propylamino)propan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64819067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).