2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine

C13H23NOS2 — CID 113348811

IUPAC2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(CCS(C)=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H23NOS2/c1-10(2)13(12-6-5-8-16-12)14-11(3)7-9-17(4)15/h5-6,8,10-11,13-14H,7,9H2,1-4H3
InChIKeyWVINYJOUFHBJPD-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.19
Rot. Bonds7

About 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine

2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 113348811) has the molecular formula C13H23NOS2 and a molecular weight of 273.47 g/mol. Its IUPAC name is 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine
PubChem CID113348811
Molecular FormulaC13H23NOS2
Molecular Weight273.47 g/mol
Exact Mass273.12
IUPAC Name2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(CCS(C)=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H23NOS2/c1-10(2)13(12-6-5-8-16-12)14-11(3)7-9-17(4)15/h5-6,8,10-11,13-14H,7,9H2,1-4H3
InChIKeyWVINYJOUFHBJPD-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine
CID 115893295
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1-thiophen-2-ylpropan-1-amine
CID 54953108
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63450025
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
CID 63448004
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylsulfinylbutan-2-amine
CID 114910082
4-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]butan-2-amine
CID 115972889
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
CID 115888558
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-[1-(2-bromophenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893189
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
CID 62900414
(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine (CID 113348811) is 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine is CC(CCS(C)=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is WVINYJOUFHBJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS2/c1-10(2)13(12-6-5-8-16-12)14-11(3)7-9-17(4)15/h5-6,8,10-11,13-14H,7,9H2,1-4H3.
What are the key properties of 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 273.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 113348811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).