1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine

C19H33NS — CID 65141748

IUPAC1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)CC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H33NS/c1-6-12-20-19(14-21-16(5)7-2)13-17-8-10-18(11-9-17)15(3)4/h8-11,15-16,19-20H,6-7,12-14H2,1-5H3
InChIKeyLXOGPQJJPVCXKJ-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.25
Rot. Bonds10

About 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine

1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine (PubChem CID 65141748) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
PubChem CID65141748
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)CC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H33NS/c1-6-12-20-19(14-21-16(5)7-2)13-17-8-10-18(11-9-17)15(3)4/h8-11,15-16,19-20H,6-7,12-14H2,1-5H3
InChIKeyLXOGPQJJPVCXKJ-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-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

1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
CID 65136095
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine
CID 63889827
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 65141127
1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65135913
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643130
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65478586
1-butan-2-ylsulfanyl-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 65136261
N-[1-(5-methylfuran-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844288
1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
CID 83175545

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine (CID 65141748) is 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine is CCCNC(CSC(C)CC)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine?
The InChIKey is LXOGPQJJPVCXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-6-12-20-19(14-21-16(5)7-2)13-17-8-10-18(11-9-17)15(3)4/h8-11,15-16,19-20H,6-7,12-14H2,1-5H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine?
1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine has a molecular weight of 307.55 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 65141748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).