1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine

C16H27NS — CID 65136095

IUPAC1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)CC)Cc1ccccc1
InChIInChI=1S/C16H27NS/c1-4-11-17-16(13-18-14(3)5-2)12-15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3
InChIKeyMGOBZZRTKCYETL-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.13
Rot. Bonds9

About 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine

1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine (PubChem CID 65136095) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
PubChem CID65136095
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)CC)Cc1ccccc1
InChIInChI=1S/C16H27NS/c1-4-11-17-16(13-18-14(3)5-2)12-15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3
InChIKeyMGOBZZRTKCYETL-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65135913
1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
CID 65141748
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 65141127
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643130
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
1-butan-2-ylsulfanyl-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 65136261
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine (CID 65136095) is 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine is CCCNC(CSC(C)CC)Cc1ccccc1.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine?
The InChIKey is MGOBZZRTKCYETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-11-17-16(13-18-14(3)5-2)12-15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine?
1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.13, 9 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-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 65136095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).