5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide

C11H18N2O2S3 — CID 106089015

IUPAC5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC2CCSC2)s1
InChIInChI=1S/C11H18N2O2S3/c1-12-7-10-2-3-11(17-10)18(14,15)13-6-9-4-5-16-8-9/h2-3,9,12-13H,4-8H2,1H3
InChIKeyAZZVCHLMSYQTMR-UHFFFAOYSA-N
MW306.48 g/mol
LogP1.50
Rot. Bonds6

About 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide

5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106089015) has the molecular formula C11H18N2O2S3 and a molecular weight of 306.48 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID106089015
Molecular FormulaC11H18N2O2S3
Molecular Weight306.48 g/mol
Exact Mass306.05
IUPAC Name5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC2CCSC2)s1
InChIInChI=1S/C11H18N2O2S3/c1-12-7-10-2-3-11(17-10)18(14,15)13-6-9-4-5-16-8-9/h2-3,9,12-13H,4-8H2,1H3
InChIKeyAZZVCHLMSYQTMR-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
2-bromo-5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089115
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106064530
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106054466

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide (CID 106089015) is 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCC2CCSC2)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is AZZVCHLMSYQTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S3/c1-12-7-10-2-3-11(17-10)18(14,15)13-6-9-4-5-16-8-9/h2-3,9,12-13H,4-8H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 306.48 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106089015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).