2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide

C13H24N2O4S2 — CID 102752860

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide
SMILESCOCCN(C(C)COC)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C13H24N2O4S2/c1-10-9-20-12(7-14)13(10)21(16,17)15(5-6-18-3)11(2)8-19-4/h9,11H,5-8,14H2,1-4H3
InChIKeyDGVCIBZQFCHYFT-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.19
Rot. Bonds9

About 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide (PubChem CID 102752860) has the molecular formula C13H24N2O4S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide
PubChem CID102752860
Molecular FormulaC13H24N2O4S2
Molecular Weight336.48 g/mol
Exact Mass336.12
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide
SMILESCOCCN(C(C)COC)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C13H24N2O4S2/c1-10-9-20-12(7-14)13(10)21(16,17)15(5-6-18-3)11(2)8-19-4/h9,11H,5-8,14H2,1-4H3
InChIKeyDGVCIBZQFCHYFT-UHFFFAOYSA-N
XLogP1.19
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
CID 102752886
N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
CID 102750576
2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide
CID 102754332
2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752972
2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749841
methyl 3-[2-methoxyethyl(propan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749163
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751342
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61060900
2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
CID 106092711
5-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 55000523

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide (CID 102752860) is 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide is COCCN(C(C)COC)S(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide?
The InChIKey is DGVCIBZQFCHYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S2/c1-10-9-20-12(7-14)13(10)21(16,17)15(5-6-18-3)11(2)8-19-4/h9,11H,5-8,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102752860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).