5-phenyl-1-phenylsulfanylpentan-2-amine

C17H21NS — CID 65141833

IUPAC5-phenyl-1-phenylsulfanylpentan-2-amine
SMILESNC(CCCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C17H21NS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16H,7,10-11,14,18H2
InChIKeyWEZQALHPLYTCDX-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.13
Rot. Bonds7

About 5-phenyl-1-phenylsulfanylpentan-2-amine

5-phenyl-1-phenylsulfanylpentan-2-amine (PubChem CID 65141833) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 5-phenyl-1-phenylsulfanylpentan-2-amine.

Molecular Properties

Compound Name5-phenyl-1-phenylsulfanylpentan-2-amine
PubChem CID65141833
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name5-phenyl-1-phenylsulfanylpentan-2-amine
SMILESNC(CCCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C17H21NS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16H,7,10-11,14,18H2
InChIKeyWEZQALHPLYTCDX-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-1-phenylsulfanylbutan-2-amine
CID 65444591
(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101
7-phenylheptane-1,4-diamine
CID 174860311
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
1-phenyloctan-4-amine
CID 79413314
N-methylmethanamine;4-phenylsulfanylbutane-1,3-diamine
CID 66723752
(3R)-1-N,1-N-dimethyl-4-phenylsulfanylbutane-1,3-diamine
CID 58080194
1-phenylsulfanylbutan-2-amine
CID 24973194
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1-N,1-N-diethyl-4-phenylsulfanylbutane-1,3-diamine
CID 77220691
4-methyl-1-phenylsulfanylpentan-2-amine
CID 65142507
(3R)-1-N-(2-fluoroethyl)-4-phenylsulfanylbutane-1,3-diamine
CID 87257708

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-phenylsulfanylpentan-2-amine?
The IUPAC name of 5-phenyl-1-phenylsulfanylpentan-2-amine (CID 65141833) is 5-phenyl-1-phenylsulfanylpentan-2-amine.
What is the SMILES notation for 5-phenyl-1-phenylsulfanylpentan-2-amine?
The canonical SMILES for 5-phenyl-1-phenylsulfanylpentan-2-amine is NC(CCCc1ccccc1)CSc1ccccc1.
What is the InChIKey of 5-phenyl-1-phenylsulfanylpentan-2-amine?
The InChIKey is WEZQALHPLYTCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16H,7,10-11,14,18H2.
What are the key properties of 5-phenyl-1-phenylsulfanylpentan-2-amine?
5-phenyl-1-phenylsulfanylpentan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-phenylsulfanylpentan-2-amine is sourced from PubChem (CID 65141833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).