2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine

C16H27NOS — CID 64652134

IUPAC2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(C(C)C)S(=O)CC
InChIInChI=1S/C16H27NOS/c1-5-12-17-15(14-10-8-7-9-11-14)16(13(3)4)19(18)6-2/h7-11,13,15-17H,5-6,12H2,1-4H3
InChIKeyQNOSLRAVQFBCJB-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.52
Rot. Bonds8

About 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine

2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine (PubChem CID 64652134) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
PubChem CID64652134
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(C(C)C)S(=O)CC
InChIInChI=1S/C16H27NOS/c1-5-12-17-15(14-10-8-7-9-11-14)16(13(3)4)19(18)6-2/h7-11,13,15-17H,5-6,12H2,1-4H3
InChIKeyQNOSLRAVQFBCJB-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethylsulfinyl-3-methyl-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-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine
CID 64650886
N-ethyl-3-methyl-2-(2-methylbutylsulfinyl)-1-phenylbutan-1-amine
CID 107759910
N-ethyl-3-methyl-2-pentylsulfinyl-1-phenylbutan-1-amine
CID 107758792
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
CID 64659428
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine (CID 64652134) is 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine is CCCNC(c1ccccc1)C(C(C)C)S(=O)CC.
What is the InChIKey of 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine?
The InChIKey is QNOSLRAVQFBCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-12-17-15(14-10-8-7-9-11-14)16(13(3)4)19(18)6-2/h7-11,13,15-17H,5-6,12H2,1-4H3.
What are the key properties of 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine?
2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 64652134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).