5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide

C10H16N2O2S4 — CID 126833104

IUPAC5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNCC2CSCCS2)s1
InChIInChI=1S/C10H16N2O2S4/c11-18(13,14)10-2-1-8(17-10)5-12-6-9-7-15-3-4-16-9/h1-2,9,12H,3-7H2,(H2,11,13,14)
InChIKeyCQGJIOPZADAEKW-UHFFFAOYSA-N
MW324.52 g/mol
LogP1.33
Rot. Bonds5

About 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide

5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide (PubChem CID 126833104) has the molecular formula C10H16N2O2S4 and a molecular weight of 324.52 g/mol. Its IUPAC name is 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide
PubChem CID126833104
Molecular FormulaC10H16N2O2S4
Molecular Weight324.52 g/mol
Exact Mass324.01
IUPAC Name5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNCC2CSCCS2)s1
InChIInChI=1S/C10H16N2O2S4/c11-18(13,14)10-2-1-8(17-10)5-12-6-9-7-15-3-4-16-9/h1-2,9,12H,3-7H2,(H2,11,13,14)
InChIKeyCQGJIOPZADAEKW-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115696114
methyl 2-[5-[(1,4-dithian-2-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 115908102
2-[(sulfamoylamino)methyl]-1,4-dithiane
CID 115688641
1-(1,4-dithian-2-yl)-N-[(2-ethylphenyl)methyl]methanamine
CID 113489338
1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 113256937
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115696168
5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-3-carboxylic acid
CID 113489320
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(1,4-dithian-2-yl)methanamine
CID 126819995
3-[(1,4-dithian-2-ylmethylamino)methyl]benzamide
CID 115696182
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(1,4-dithian-2-yl)methanamine
CID 114165712
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036

Frequently Asked Questions

What is the IUPAC name of 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide (CID 126833104) is 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CNCC2CSCCS2)s1.
What is the InChIKey of 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is CQGJIOPZADAEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S4/c11-18(13,14)10-2-1-8(17-10)5-12-6-9-7-15-3-4-16-9/h1-2,9,12H,3-7H2,(H2,11,13,14).
What are the key properties of 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide?
5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 324.52 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 126833104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).