N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C11H18N2O4S3 — CID 106065974

IUPACN-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C11H18N2O4S3/c1-12-6-9-5-11(18-7-9)20(16,17)13-10-3-2-4-19(14,15)8-10/h5,7,10,12-13H,2-4,6,8H2,1H3
InChIKeyYNZPRHRQSPTPBA-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.32
Rot. Bonds5

About N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106065974) has the molecular formula C11H18N2O4S3 and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106065974
Molecular FormulaC11H18N2O4S3
Molecular Weight338.48 g/mol
Exact Mass338.04
IUPAC NameN-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C11H18N2O4S3/c1-12-6-9-5-11(18-7-9)20(16,17)13-10-3-2-4-19(14,15)8-10/h5,7,10,12-13H,2-4,6,8H2,1H3
InChIKeyYNZPRHRQSPTPBA-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)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106065925
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 63922792
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106090814
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-(1,1-dioxothiolan-3-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106059854
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114132125
3-[(1,1-dioxothian-3-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748810

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106065974) is N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NC2CCCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is YNZPRHRQSPTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S3/c1-12-6-9-5-11(18-7-9)20(16,17)13-10-3-2-4-19(14,15)8-10/h5,7,10,12-13H,2-4,6,8H2,1H3.
What are the key properties of N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-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)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106065974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).