2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide

C12H20N2O2S3 — CID 106072195

IUPAC2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C12H20N2O2S3/c1-13-9-11-12(5-7-18-11)19(15,16)14-8-10-4-2-3-6-17-10/h5,7,10,13-14H,2-4,6,8-9H2,1H3
InChIKeyLJXPVQYWGODOPV-UHFFFAOYSA-N
MW320.51 g/mol
LogP2.03
Rot. Bonds6

About 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide

2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106072195) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID106072195
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC Name2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C12H20N2O2S3/c1-13-9-11-12(5-7-18-11)19(15,16)14-8-10-4-2-3-6-17-10/h5,7,10,13-14H,2-4,6,8-9H2,1H3
InChIKeyLJXPVQYWGODOPV-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088333
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
2-bromo-5-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072208
N-(1,4-dioxan-2-ylmethyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106016685
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071667
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 80595252
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide (CID 106072195) is 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCC1CCCCS1.
What is the InChIKey of 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is LJXPVQYWGODOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-13-9-11-12(5-7-18-11)19(15,16)14-8-10-4-2-3-6-17-10/h5,7,10,13-14H,2-4,6,8-9H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide?
2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 320.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106072195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).