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

C13H23NO2S2 — CID 104991160

IUPAC2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H23NO2S2/c1-6-7-14-12(11-8-10(2)17-9-11)13(3,4)18(5,15)16/h8-9,12,14H,6-7H2,1-5H3
InChIKeyOUBHTJOGWCNYJC-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.92
Rot. Bonds6

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

2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 104991160) has the molecular formula C13H23NO2S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID104991160
Molecular FormulaC13H23NO2S2
Molecular Weight289.47 g/mol
Exact Mass289.12
IUPAC Name2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H23NO2S2/c1-6-7-14-12(11-8-10(2)17-9-11)13(3,4)18(5,15)16/h8-9,12,14H,6-7H2,1-5H3
InChIKeyOUBHTJOGWCNYJC-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
CID 79068762
2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991213
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991379
2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069595
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 102764212
1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 79725643
1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 81473129
1-(3-ethoxyphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 105022167
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
3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
CID 104991561
2-methyl-2-methylsulfonyl-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (CID 104991160) is 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is CCCNC(c1csc(C)c1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is OUBHTJOGWCNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2/c1-6-7-14-12(11-8-10(2)17-9-11)13(3,4)18(5,15)16/h8-9,12,14H,6-7H2,1-5H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 104991160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).