(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine

C16H19NS — CID 103959471

IUPAC(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccccc1SCc1ccccc1
InChIInChI=1S/C16H19NS/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13/h3-11,15H,2,12,17H2,1H3/t15-/m0/s1
InChIKeyMEIPBPBSKZFZJG-HNNXBMFYSA-N
MW257.40 g/mol
LogP4.39
Rot. Bonds5

About (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine

(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine (PubChem CID 103959471) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
PubChem CID103959471
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccccc1SCc1ccccc1
InChIInChI=1S/C16H19NS/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13/h3-11,15H,2,12,17H2,1H3/t15-/m0/s1
InChIKeyMEIPBPBSKZFZJG-HNNXBMFYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
(1R)-1-(2-benzylsulfanylphenyl)ethanol
CID 63812589
(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 124502443
3-[2-(1-aminopropyl)phenyl]sulfanylpropan-1-ol
CID 112678713
1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
CID 112678521
1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine
CID 112678701
(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171211776
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
CID 112678597
(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine
CID 124502892
2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 103959543

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine (CID 103959471) is (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine is CC[C@H](N)c1ccccc1SCc1ccccc1.
What is the InChIKey of (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine?
The InChIKey is MEIPBPBSKZFZJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13/h3-11,15H,2,12,17H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine?
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-benzylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 103959471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).