N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide

C14H20N2O2S3 — CID 102754325

IUPACN,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)N(C)CCc1cccs1
InChIInChI=1S/C14H20N2O2S3/c1-11-10-20-13(9-15-2)14(11)21(17,18)16(3)7-6-12-5-4-8-19-12/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyVFGASZBGWHMVMJ-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.70
Rot. Bonds7

About N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide

N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide (PubChem CID 102754325) has the molecular formula C14H20N2O2S3 and a molecular weight of 344.53 g/mol. Its IUPAC name is N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
PubChem CID102754325
Molecular FormulaC14H20N2O2S3
Molecular Weight344.53 g/mol
Exact Mass344.07
IUPAC NameN,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)N(C)CCc1cccs1
InChIInChI=1S/C14H20N2O2S3/c1-11-10-20-13(9-15-2)14(11)21(17,18)16(3)7-6-12-5-4-8-19-12/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyVFGASZBGWHMVMJ-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79489921
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 102752488
N,4-dimethyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102753031
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102752582
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106066930
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102752389
2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 102751202
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide (CID 102754325) is N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)N(C)CCc1cccs1.
What is the InChIKey of N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The InChIKey is VFGASZBGWHMVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S3/c1-11-10-20-13(9-15-2)14(11)21(17,18)16(3)7-6-12-5-4-8-19-12/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide has a molecular weight of 344.53 g/mol, XLogP of 2.70, 7 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-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102754325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).