2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine

C16H27NS — CID 79227368

IUPAC2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CCSc1ccccc1)CNC(C)C
InChIInChI=1S/C16H27NS/c1-4-8-15(13-17-14(2)3)11-12-18-16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3
InChIKeyGLCDIKNNRCLWPT-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.58
Rot. Bonds9

About 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine

2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine (PubChem CID 79227368) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine
PubChem CID79227368
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CCSc1ccccc1)CNC(C)C
InChIInChI=1S/C16H27NS/c1-4-8-15(13-17-14(2)3)11-12-18-16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3
InChIKeyGLCDIKNNRCLWPT-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine
CID 79228872
3,3-dimethyl-2-(2-phenylsulfanylethyl)-N-propan-2-ylbutan-1-amine
CID 83139032
3-(chloromethyl)pentylsulfanylbenzene
CID 79224283
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65232689
2-(2-phenylsulfanylethyl)pentanoic acid
CID 79228431
N-[4-methyl-2-(2-phenylsulfanylethyl)pentyl]cyclopropanamine
CID 79228483
2,2-diethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228777
2-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 62529731
2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228773

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine (CID 79227368) is 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine is CCCC(CCSc1ccccc1)CNC(C)C.
What is the InChIKey of 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is GLCDIKNNRCLWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-8-15(13-17-14(2)3)11-12-18-16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3.
What are the key properties of 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine?
2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79227368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).