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

C13H20N2O3S2 — CID 106092486

IUPAC5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NC1CCOC1C1CC1
InChIInChI=1S/C13H20N2O3S2/c1-8-12(6-10(7-14)19-8)20(16,17)15-11-4-5-18-13(11)9-2-3-9/h6,9,11,13,15H,2-5,7,14H2,1H3
InChIKeyQGYGFEYQLJJEEP-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.36
Rot. Bonds5

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

5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 106092486) 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)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
PubChem CID106092486
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NC1CCOC1C1CC1
InChIInChI=1S/C13H20N2O3S2/c1-8-12(6-10(7-14)19-8)20(16,17)15-11-4-5-18-13(11)9-2-3-9/h6,9,11,13,15H,2-5,7,14H2,1H3
InChIKeyQGYGFEYQLJJEEP-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-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 106092484
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 103864173
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
2-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076237
5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide
CID 106059671
5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106091372
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106056715
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106001891
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide (CID 106092486) is 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NC1CCOC1C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is QGYGFEYQLJJEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-8-12(6-10(7-14)19-8)20(16,17)15-11-4-5-18-13(11)9-2-3-9/h6,9,11,13,15H,2-5,7,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-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)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106092486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).