4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide

C11H18N2O2S3 — CID 106081596

IUPAC4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCCSC2)c1
InChIInChI=1S/C11H18N2O2S3/c1-12-6-9-5-11(17-7-9)18(14,15)13-10-3-2-4-16-8-10/h5,7,10,12-13H,2-4,6,8H2,1H3
InChIKeyZVQXSRQQPMFCLK-UHFFFAOYSA-N
MW306.48 g/mol
LogP1.64
Rot. Bonds5

About 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide

4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide (PubChem CID 106081596) has the molecular formula C11H18N2O2S3 and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
PubChem CID106081596
Molecular FormulaC11H18N2O2S3
Molecular Weight306.48 g/mol
Exact Mass306.05
IUPAC Name4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCCSC2)c1
InChIInChI=1S/C11H18N2O2S3/c1-12-6-9-5-11(17-7-9)18(14,15)13-10-3-2-4-16-8-10/h5,7,10,12-13H,2-4,6,8H2,1H3
InChIKeyZVQXSRQQPMFCLK-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106090814
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112
4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091472
4-(methylaminomethyl)-N-(1-propylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106001510
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081584
4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
CID 106084527
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide (CID 106081596) is 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NC2CCCSC2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide?
The InChIKey is ZVQXSRQQPMFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S3/c1-12-6-9-5-11(17-7-9)18(14,15)13-10-3-2-4-16-8-10/h5,7,10,12-13H,2-4,6,8H2,1H3.
What are the key properties of 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide has a molecular weight of 306.48 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106081596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).