3-(4-benzylsulfanylphenyl)prop-1-en-2-amine

C16H17NS — CID 166885881

IUPAC3-(4-benzylsulfanylphenyl)prop-1-en-2-amine
SMILESC=C(N)Cc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C16H17NS/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10H,1,11-12,17H2
InChIKeyVJUJRJKERVILEA-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.99
Rot. Bonds5

About 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine

3-(4-benzylsulfanylphenyl)prop-1-en-2-amine (PubChem CID 166885881) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine.

Molecular Properties

Compound Name3-(4-benzylsulfanylphenyl)prop-1-en-2-amine
PubChem CID166885881
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name3-(4-benzylsulfanylphenyl)prop-1-en-2-amine
SMILESC=C(N)Cc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C16H17NS/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10H,1,11-12,17H2
InChIKeyVJUJRJKERVILEA-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S-(4-benzylsulfanylphenyl) carbamothioate
CID 145451020
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
1-benzylsulfanyl-4-methylbenzene
CID 10940369
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide
CID 151945338
1-methylsulfanyl-4-[(4-phenylphenyl)sulfanylmethyl]benzene
CID 130199319
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
1-benzylsulfanyl-4-(difluoromethyl)benzene
CID 139404408
(4-benzylsulfanylphenyl) acetate
CID 18982368
4-(2-aminoprop-2-enyl)phenol
CID 20758770

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine?
The IUPAC name of 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine (CID 166885881) is 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine.
What is the SMILES notation for 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine?
The canonical SMILES for 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine is C=C(N)Cc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine?
The InChIKey is VJUJRJKERVILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10H,1,11-12,17H2.
What are the key properties of 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine?
3-(4-benzylsulfanylphenyl)prop-1-en-2-amine has a molecular weight of 255.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylsulfanylphenyl)prop-1-en-2-amine is sourced from PubChem (CID 166885881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).