5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide

C13H20N2O3S2 — CID 82745858

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccc(CNC2CC2)s1
InChIInChI=1S/C13H20N2O3S2/c1-15(11-6-7-18-9-11)20(16,17)13-5-4-12(19-13)8-14-10-2-3-10/h4-5,10-11,14H,2-3,6-9H2,1H3
InChIKeyKCLZUXXZAHRVDE-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.41
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 82745858) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
PubChem CID82745858
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccc(CNC2CC2)s1
InChIInChI=1S/C13H20N2O3S2/c1-15(11-6-7-18-9-11)20(16,17)13-5-4-12(19-13)8-14-10-2-3-10/h4-5,10-11,14H,2-3,6-9H2,1H3
InChIKeyKCLZUXXZAHRVDE-UHFFFAOYSA-N
XLogP1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748496
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754021
N-methyl-N-(oxolan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 78947872
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82744724
5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
CID 106091245
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746069
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035127
5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 114166157
N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide
CID 79116728
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746154
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106079469

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide (CID 82745858) is 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide is CN(C1CCOC1)S(=O)(=O)c1ccc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is KCLZUXXZAHRVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-15(11-6-7-18-9-11)20(16,17)13-5-4-12(19-13)8-14-10-2-3-10/h4-5,10-11,14H,2-3,6-9H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 82745858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).