2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine

C12H21NO2S2 — CID 104991213

IUPAC2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C12H21NO2S2/c1-5-6-13-12(10(3)17(4,14)15)11-7-9(2)16-8-11/h7-8,10,12-13H,5-6H2,1-4H3
InChIKeyFRMGGALCTZSSOM-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.53
Rot. Bonds6

About 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine

2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 104991213) has the molecular formula C12H21NO2S2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID104991213
Molecular FormulaC12H21NO2S2
Molecular Weight275.44 g/mol
Exact Mass275.10
IUPAC Name2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C12H21NO2S2/c1-5-6-13-12(10(3)17(4,14)15)11-7-9(2)16-8-11/h7-8,10,12-13H,5-6H2,1-4H3
InChIKeyFRMGGALCTZSSOM-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 79616237
1-(3,4-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518652
1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518934
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518874
1-(3-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518650
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518674
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105053631
1-(2-ethoxy-5-methylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518845

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (CID 104991213) is 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is CCCNC(c1csc(C)c1)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is FRMGGALCTZSSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S2/c1-5-6-13-12(10(3)17(4,14)15)11-7-9(2)16-8-11/h7-8,10,12-13H,5-6H2,1-4H3.
What are the key properties of 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 104991213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).