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

C14H24N2O3S2 — CID 102752886

IUPAC2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C14H24N2O3S2/c1-10-9-20-13(8-15)14(10)21(17,18)16(6-7-19-3)11(2)12-4-5-12/h9,11-12H,4-8,15H2,1-3H3
InChIKeyRUPHPTVKKTYDKH-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.95
Rot. Bonds8

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

2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102752886) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
PubChem CID102752886
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C14H24N2O3S2/c1-10-9-20-13(8-15)14(10)21(17,18)16(6-7-19-3)11(2)12-4-5-12/h9,11-12H,4-8,15H2,1-3H3
InChIKeyRUPHPTVKKTYDKH-UHFFFAOYSA-N
XLogP1.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide
CID 102752860
N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
CID 102750576
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 61109788
2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752972
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide
CID 102754332
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propane-2-sulfonamide
CID 62351553
methyl 3-[2-methoxyethyl(propan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749163
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102754394
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
CID 62159021
N-(1-cyclopropylethyl)-N,4-dimethyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751637
N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
CID 81258859

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide (CID 102752886) is 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide is COCCN(C(C)C1CC1)S(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is RUPHPTVKKTYDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-10-9-20-13(8-15)14(10)21(17,18)16(6-7-19-3)11(2)12-4-5-12/h9,11-12H,4-8,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102752886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).