2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine

C17H29NS — CID 64610891

IUPAC2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCCSC(CC)C(NCCC)c1ccccc1
InChIInChI=1S/C17H29NS/c1-4-7-14-19-16(6-3)17(18-13-5-2)15-11-9-8-10-12-15/h8-12,16-18H,4-7,13-14H2,1-3H3
InChIKeyGAZIFDLZPBUXQU-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.04
Rot. Bonds10

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

2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine (PubChem CID 64610891) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
PubChem CID64610891
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCCSC(CC)C(NCCC)c1ccccc1
InChIInChI=1S/C17H29NS/c1-4-7-14-19-16(6-3)17(18-13-5-2)15-11-9-8-10-12-15/h8-12,16-18H,4-7,13-14H2,1-3H3
InChIKeyGAZIFDLZPBUXQU-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 66127944
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
CID 64615452
ethyl 2-[1-phenyl-1-(propylamino)butan-2-yl]sulfanylacetate
CID 64615868
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine
CID 64649430
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107784222
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine (CID 64610891) is 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine is CCCCSC(CC)C(NCCC)c1ccccc1.
What is the InChIKey of 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine?
The InChIKey is GAZIFDLZPBUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-4-7-14-19-16(6-3)17(18-13-5-2)15-11-9-8-10-12-15/h8-12,16-18H,4-7,13-14H2,1-3H3.
What are the key properties of 2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine?
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.04, 10 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-propylbutan-1-amine is sourced from PubChem (CID 64610891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).