N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine

C15H25NS — CID 79228872

IUPACN-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine
SMILESCCCC(CCSc1ccccc1)CNCC
InChIInChI=1S/C15H25NS/c1-3-8-14(13-16-4-2)11-12-17-15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3
InChIKeyPFGCICWDQBSMGV-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.19
Rot. Bonds9

About N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine

N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine (PubChem CID 79228872) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine
PubChem CID79228872
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine
SMILESCCCC(CCSc1ccccc1)CNCC
InChIInChI=1S/C15H25NS/c1-3-8-14(13-16-4-2)11-12-17-15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3
InChIKeyPFGCICWDQBSMGV-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine
CID 79227368
N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
CID 79423694
N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine
CID 20573732
3-(chloromethyl)pentylsulfanylbenzene
CID 79224283
2-(2-phenylsulfanylethyl)pentanoic acid
CID 79228431
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine
CID 20573764
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
ethane;N-ethyl-2-propylpentan-1-amine;pentane
CID 143708977
N-[4-methyl-2-(2-phenylsulfanylethyl)pentyl]cyclopropanamine
CID 79228483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine?
The IUPAC name of N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine (CID 79228872) is N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine is CCCC(CCSc1ccccc1)CNCC.
What is the InChIKey of N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine?
The InChIKey is PFGCICWDQBSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-8-14(13-16-4-2)11-12-17-15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3.
What are the key properties of N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine?
N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine is sourced from PubChem (CID 79228872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).