1-(2-phenylsulfanylphenyl)pentan-1-amine

C17H21NS — CID 58625272

IUPAC1-(2-phenylsulfanylphenyl)pentan-1-amine
SMILESCCCCC(N)c1ccccc1Sc1ccccc1
InChIInChI=1S/C17H21NS/c1-2-3-12-16(18)15-11-7-8-13-17(15)19-14-9-5-4-6-10-14/h4-11,13,16H,2-3,12,18H2,1H3
InChIKeyOQRGYRVLASYOIB-UHFFFAOYSA-N
MW271.43 g/mol
LogP5.03
Rot. Bonds6

About 1-(2-phenylsulfanylphenyl)pentan-1-amine

1-(2-phenylsulfanylphenyl)pentan-1-amine (PubChem CID 58625272) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(2-phenylsulfanylphenyl)pentan-1-amine.

Molecular Properties

Compound Name1-(2-phenylsulfanylphenyl)pentan-1-amine
PubChem CID58625272
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name1-(2-phenylsulfanylphenyl)pentan-1-amine
SMILESCCCCC(N)c1ccccc1Sc1ccccc1
InChIInChI=1S/C17H21NS/c1-2-3-12-16(18)15-11-7-8-13-17(15)19-14-9-5-4-6-10-14/h4-11,13,16H,2-3,12,18H2,1H3
InChIKeyOQRGYRVLASYOIB-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propan-2-ylphenyl)pentan-1-amine
CID 171922235
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride
CID 171234701
[2-[(1R)-1-aminopentyl]phenyl]methanol
CID 55297220
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
CID 103959494
1-(2-bromophenyl)hexan-1-amine
CID 62604682
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine
CID 103719165

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylphenyl)pentan-1-amine?
The IUPAC name of 1-(2-phenylsulfanylphenyl)pentan-1-amine (CID 58625272) is 1-(2-phenylsulfanylphenyl)pentan-1-amine.
What is the SMILES notation for 1-(2-phenylsulfanylphenyl)pentan-1-amine?
The canonical SMILES for 1-(2-phenylsulfanylphenyl)pentan-1-amine is CCCCC(N)c1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(2-phenylsulfanylphenyl)pentan-1-amine?
The InChIKey is OQRGYRVLASYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-3-12-16(18)15-11-7-8-13-17(15)19-14-9-5-4-6-10-14/h4-11,13,16H,2-3,12,18H2,1H3.
What are the key properties of 1-(2-phenylsulfanylphenyl)pentan-1-amine?
1-(2-phenylsulfanylphenyl)pentan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylphenyl)pentan-1-amine is sourced from PubChem (CID 58625272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).