2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine

C16H27NS — CID 64610486

IUPAC2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCCSC(C)C(NCCC)c1ccccc1
InChIInChI=1S/C16H27NS/c1-4-6-13-18-14(3)16(17-12-5-2)15-10-8-7-9-11-15/h7-11,14,16-17H,4-6,12-13H2,1-3H3
InChIKeyCCGPMANTPDWLGR-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.65
Rot. Bonds9

About 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine

2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine (PubChem CID 64610486) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
PubChem CID64610486
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCCSC(C)C(NCCC)c1ccccc1
InChIInChI=1S/C16H27NS/c1-4-6-13-18-14(3)16(17-12-5-2)15-10-8-7-9-11-15/h7-11,14,16-17H,4-6,12-13H2,1-3H3
InChIKeyCCGPMANTPDWLGR-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine
CID 64614505
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64625634
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine (CID 64610486) is 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine is CCCCSC(C)C(NCCC)c1ccccc1.
What is the InChIKey of 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine?
The InChIKey is CCGPMANTPDWLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-6-13-18-14(3)16(17-12-5-2)15-10-8-7-9-11-15/h7-11,14,16-17H,4-6,12-13H2,1-3H3.
What are the key properties of 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine?
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 64610486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).