N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide

C14H24N2O3S2 — CID 102752442

IUPACN,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)N(C)CC1CCCCO1
InChIInChI=1S/C14H24N2O3S2/c1-11-10-20-13(8-15-2)14(11)21(17,18)16(3)9-12-6-4-5-7-19-12/h10,12,15H,4-9H2,1-3H3
InChIKeyWMEGMNLQEWLQJE-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.97
Rot. Bonds6

About N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide

N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 102752442) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID102752442
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)N(C)CC1CCCCO1
InChIInChI=1S/C14H24N2O3S2/c1-11-10-20-13(8-15-2)14(11)21(17,18)16(3)9-12-6-4-5-7-19-12/h10,12,15H,4-9H2,1-3H3
InChIKeyWMEGMNLQEWLQJE-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
N,4-dimethyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102753031
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749832
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754636
4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733234
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748534
3-amino-5-bromo-N,2-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 114379300
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087081

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide (CID 102752442) is N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)N(C)CC1CCCCO1.
What is the InChIKey of N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is WMEGMNLQEWLQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-11-10-20-13(8-15-2)14(11)21(17,18)16(3)9-12-6-4-5-7-19-12/h10,12,15H,4-9H2,1-3H3.
What are the key properties of N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide?
N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).