4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide

C12H22N2O2S2 — CID 114138798

IUPAC4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)csc1CNC
InChIInChI=1S/C12H22N2O2S2/c1-6-12(3,4)14-18(15,16)11-9(2)8-17-10(11)7-13-5/h8,13-14H,6-7H2,1-5H3
InChIKeyYEPMOOBMNALHRK-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.24
Rot. Bonds6

About 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide (PubChem CID 114138798) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
PubChem CID114138798
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)csc1CNC
InChIInChI=1S/C12H22N2O2S2/c1-6-12(3,4)14-18(15,16)11-9(2)8-17-10(11)7-13-5/h8,13-14H,6-7H2,1-5H3
InChIKeyYEPMOOBMNALHRK-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031473
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106066930
4-methoxy-2,6-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47173285
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
N-(2,4-dibromophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106003290

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide (CID 114138798) is 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide is CCC(C)(C)NS(=O)(=O)c1c(C)csc1CNC.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide?
The InChIKey is YEPMOOBMNALHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-6-12(3,4)14-18(15,16)11-9(2)8-17-10(11)7-13-5/h8,13-14H,6-7H2,1-5H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 114138798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).