2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide

C12H22N2O2S2 — CID 114102326

IUPAC2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
SMILESCC(C)C(C)(C)CNS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C12H22N2O2S2/c1-9(2)12(3,4)8-14-18(15,16)11-5-6-17-10(11)7-13/h5-6,9,14H,7-8,13H2,1-4H3
InChIKeyWPZJPTGRBWQDJP-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.17
Rot. Bonds6

About 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide

2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide (PubChem CID 114102326) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
PubChem CID114102326
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
SMILESCC(C)C(C)(C)CNS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C12H22N2O2S2/c1-9(2)12(3,4)8-14-18(15,16)11-5-6-17-10(11)7-13/h5-6,9,14H,7-8,13H2,1-4H3
InChIKeyWPZJPTGRBWQDJP-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
CID 106072628
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide
CID 114141469
2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073737
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023220
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106062510
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613
4-N-(2,2,3-trimethylbutyl)benzene-1,4-disulfonamide
CID 102609395
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106082978
2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide
CID 106062308
2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092082

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide (CID 114102326) is 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide is CC(C)C(C)(C)CNS(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide?
The InChIKey is WPZJPTGRBWQDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-9(2)12(3,4)8-14-18(15,16)11-5-6-17-10(11)7-13/h5-6,9,14H,7-8,13H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114102326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).