1-phenyl-3-phenylsulfanylpropan-1-amine

C15H17NS — CID 132891646

IUPAC1-phenyl-3-phenylsulfanylpropan-1-amine
SMILESNC(CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NS/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
InChIKeyUQNSDXZEVCCOII-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.87
Rot. Bonds5

About 1-phenyl-3-phenylsulfanylpropan-1-amine

1-phenyl-3-phenylsulfanylpropan-1-amine (PubChem CID 132891646) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-phenyl-3-phenylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-phenyl-3-phenylsulfanylpropan-1-amine
PubChem CID132891646
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name1-phenyl-3-phenylsulfanylpropan-1-amine
SMILESNC(CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NS/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
InChIKeyUQNSDXZEVCCOII-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
4-(2-phenylsulfanylethylsulfanyl)butan-2-amine
CID 79222065
2-amino-4-phenylsulfanylbutanamide
CID 63033398
4-(2-amino-2-phenylethyl)sulfanylphenol
CID 55241313
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
3-amino-3-phenylpropane-1-sulfonic acid
CID 11976922
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627210
2-amino-6-phenylsulfanylhexanoic acid
CID 3724865
2-(2-aminoethyl)-4-phenylsulfanylbutanoic acid
CID 104680987

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenylsulfanylpropan-1-amine?
The IUPAC name of 1-phenyl-3-phenylsulfanylpropan-1-amine (CID 132891646) is 1-phenyl-3-phenylsulfanylpropan-1-amine.
What is the SMILES notation for 1-phenyl-3-phenylsulfanylpropan-1-amine?
The canonical SMILES for 1-phenyl-3-phenylsulfanylpropan-1-amine is NC(CCSc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-phenylsulfanylpropan-1-amine?
The InChIKey is UQNSDXZEVCCOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2.
What are the key properties of 1-phenyl-3-phenylsulfanylpropan-1-amine?
1-phenyl-3-phenylsulfanylpropan-1-amine has a molecular weight of 243.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylsulfanylpropan-1-amine is sourced from PubChem (CID 132891646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).