N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C11H18N2O4S3 — CID 106065925

IUPACN-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCS(=O)(=O)C2)cs1
InChIInChI=1S/C11H18N2O4S3/c1-12-6-10-5-11(7-18-10)20(16,17)13-9-3-2-4-19(14,15)8-9/h5,7,9,12-13H,2-4,6,8H2,1H3
InChIKeyGPUBANKIBFJPOM-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.32
Rot. Bonds5

About N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106065925) has the molecular formula C11H18N2O4S3 and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106065925
Molecular FormulaC11H18N2O4S3
Molecular Weight338.48 g/mol
Exact Mass338.04
IUPAC NameN-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCS(=O)(=O)C2)cs1
InChIInChI=1S/C11H18N2O4S3/c1-12-6-10-5-11(7-18-10)20(16,17)13-9-3-2-4-19(14,15)8-9/h5,7,9,12-13H,2-4,6,8H2,1H3
InChIKeyGPUBANKIBFJPOM-UHFFFAOYSA-N
XLogP0.32
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 63922792
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067360
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087840
3-amino-N-(1,1-dioxothian-3-yl)-4,5-dimethylbenzenesulfonamide
CID 63922894
N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067705
N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106059838
5-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084327
4-bromo-N-(1,1-dioxothian-3-yl)-3-methylbenzenesulfonamide
CID 63924383
5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106065925) is N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCCS(=O)(=O)C2)cs1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is GPUBANKIBFJPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S3/c1-12-6-10-5-11(7-18-10)20(16,17)13-9-3-2-4-19(14,15)8-9/h5,7,9,12-13H,2-4,6,8H2,1H3.
What are the key properties of N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106065925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).