3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol

C15H25NOS — CID 112678712

IUPAC3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol
SMILESCCCNC(CC)c1ccccc1SCCCO
InChIInChI=1S/C15H25NOS/c1-3-10-16-14(4-2)13-8-5-6-9-15(13)18-12-7-11-17/h5-6,8-9,14,16-17H,3-4,7,10-12H2,1-2H3
InChIKeyFBSDFFYEJNIVCX-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.61
Rot. Bonds9

About 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol

3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol (PubChem CID 112678712) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol
PubChem CID112678712
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol
SMILESCCCNC(CC)c1ccccc1SCCCO
InChIInChI=1S/C15H25NOS/c1-3-10-16-14(4-2)13-8-5-6-9-15(13)18-12-7-11-17/h5-6,8-9,14,16-17H,3-4,7,10-12H2,1-2H3
InChIKeyFBSDFFYEJNIVCX-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-butylsulfanylphenyl)-N-propylpropan-1-amine
CID 112678605
1-[2-(3-methylbutylsulfanyl)phenyl]-N-propylpropan-1-amine
CID 107750878
3-[2-(1-aminopropyl)phenyl]sulfanylpropan-1-ol
CID 112678713
(1R)-1-[2-(3-hydroxypropylsulfanyl)phenyl]propan-1-ol
CID 103960848
3-[4-bromo-2-[1-(propylamino)ethyl]phenyl]sulfanylpropan-1-ol
CID 82970081
N-propyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propan-1-amine
CID 112678548
1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
CID 115995796
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
CID 115995903
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol?
The IUPAC name of 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol (CID 112678712) is 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol is CCCNC(CC)c1ccccc1SCCCO.
What is the InChIKey of 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol?
The InChIKey is FBSDFFYEJNIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-10-16-14(4-2)13-8-5-6-9-15(13)18-12-7-11-17/h5-6,8-9,14,16-17H,3-4,7,10-12H2,1-2H3.
What are the key properties of 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol?
3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol is sourced from PubChem (CID 112678712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).