N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine

C10H17NO2S2 — CID 63192027

IUPACN-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cccs1
InChIInChI=1S/C10H17NO2S2/c1-11-9(10-6-3-7-14-10)5-4-8-15(2,12)13/h3,6-7,9,11H,4-5,8H2,1-2H3
InChIKeyIMBODQMZCKDIML-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds6

About N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine

N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine (PubChem CID 63192027) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
PubChem CID63192027
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC NameN-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cccs1
InChIInChI=1S/C10H17NO2S2/c1-11-9(10-6-3-7-14-10)5-4-8-15(2,12)13/h3,6-7,9,11H,4-5,8H2,1-2H3
InChIKeyIMBODQMZCKDIML-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
CID 62473459
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105113544
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
N-(dithiophen-2-ylmethyl)-3-methylsulfonylpropan-1-amine
CID 54905323
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820928
1-(2-tert-butylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115821094
N-methyl-4-methylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 115820921
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
1-(2,4-dibromophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 114019233
4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide
CID 10248669

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine (CID 63192027) is N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1cccs1.
What is the InChIKey of N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine?
The InChIKey is IMBODQMZCKDIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-11-9(10-6-3-7-14-10)5-4-8-15(2,12)13/h3,6-7,9,11H,4-5,8H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine?
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63192027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).