5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide

C12H22N2O2S2 — CID 55009501

IUPAC5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
SMILESCC(N(C)S(=O)(=O)c1ccc(CN)s1)C(C)(C)C
InChIInChI=1S/C12H22N2O2S2/c1-9(12(2,3)4)14(5)18(15,16)11-7-6-10(8-13)17-11/h6-7,9H,8,13H2,1-5H3
InChIKeyJVQDATPXNGUVJI-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.26
Rot. Bonds4

About 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide (PubChem CID 55009501) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
PubChem CID55009501
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
SMILESCC(N(C)S(=O)(=O)c1ccc(CN)s1)C(C)(C)C
InChIInChI=1S/C12H22N2O2S2/c1-9(12(2,3)4)14(5)18(15,16)11-7-6-10(8-13)17-11/h6-7,9H,8,13H2,1-5H3
InChIKeyJVQDATPXNGUVJI-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 130358029
(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 71756062
5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 43332877
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide
CID 114165998
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106266214
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61418235
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 62637176
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 81428100
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928228
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 106266241
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
CID 106266202

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide (CID 55009501) is 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide is CC(N(C)S(=O)(=O)c1ccc(CN)s1)C(C)(C)C.
What is the InChIKey of 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide?
The InChIKey is JVQDATPXNGUVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-9(12(2,3)4)14(5)18(15,16)11-7-6-10(8-13)17-11/h6-7,9H,8,13H2,1-5H3.
What are the key properties of 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 55009501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).