N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide

C12H20N2O3S2 — CID 82746069

IUPACN,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)C2CCOC2)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-12(6-11(18-9)7-13-2)19(15,16)14(3)10-4-5-17-8-10/h6,10,13H,4-5,7-8H2,1-3H3
InChIKeyFHGXWFWIBJGVTE-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.19
Rot. Bonds5

About N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide

N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide (PubChem CID 82746069) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
PubChem CID82746069
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)C2CCOC2)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-12(6-11(18-9)7-13-2)19(15,16)14(3)10-4-5-17-8-10/h6,10,13H,4-5,7-8H2,1-3H3
InChIKeyFHGXWFWIBJGVTE-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide (CID 82746069) is N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)N(C)C2CCOC2)c(C)s1.
What is the InChIKey of N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The InChIKey is FHGXWFWIBJGVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-12(6-11(18-9)7-13-2)19(15,16)14(3)10-4-5-17-8-10/h6,10,13H,4-5,7-8H2,1-3H3.
What are the key properties of N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide?
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 82746069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).