5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide

C13H20N2O3S2 — CID 106092484

IUPAC5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOC2C2CC2)sc1CN
InChIInChI=1S/C13H20N2O3S2/c1-8-6-12(19-11(8)7-14)20(16,17)15-10-4-5-18-13(10)9-2-3-9/h6,9-10,13,15H,2-5,7,14H2,1H3
InChIKeyITTANZXVZXMAOW-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.36
Rot. Bonds5

About 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 106092484) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
PubChem CID106092484
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOC2C2CC2)sc1CN
InChIInChI=1S/C13H20N2O3S2/c1-8-6-12(19-11(8)7-14)20(16,17)15-10-4-5-18-13(10)9-2-3-9/h6,9-10,13,15H,2-5,7,14H2,1H3
InChIKeyITTANZXVZXMAOW-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 103864173
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
CID 106092486
5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
CID 106063436
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094400
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482
5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 106072242
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide (CID 106092484) is 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCOC2C2CC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is ITTANZXVZXMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-8-6-12(19-11(8)7-14)20(16,17)15-10-4-5-18-13(10)9-2-3-9/h6,9-10,13,15H,2-5,7,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106092484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).