5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide

C11H18N2O2S4 — CID 106078465

IUPAC5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCC1CSCCS1
InChIInChI=1S/C11H18N2O2S4/c1-8-11(4-9(5-12)18-8)19(14,15)13-6-10-7-16-2-3-17-10/h4,10,13H,2-3,5-7,12H2,1H3
InChIKeyYBTKTYXZIWDQHU-UHFFFAOYSA-N
MW338.55 g/mol
LogP1.64
Rot. Bonds5

About 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106078465) has the molecular formula C11H18N2O2S4 and a molecular weight of 338.55 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide
PubChem CID106078465
Molecular FormulaC11H18N2O2S4
Molecular Weight338.55 g/mol
Exact Mass338.03
IUPAC Name5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCC1CSCCS1
InChIInChI=1S/C11H18N2O2S4/c1-8-11(4-9(5-12)18-8)19(14,15)13-6-10-7-16-2-3-17-10/h4,10,13H,2-3,5-7,12H2,1H3
InChIKeyYBTKTYXZIWDQHU-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106078424
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
3-(aminomethyl)-2,5-dichloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 106078374
N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95975392
3-(aminomethyl)-5-bromo-N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 106078416
N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 115685195
2,5-dibromo-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253321
5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide
CID 106067327
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
2-[(sulfamoylamino)methyl]-1,4-dithiane
CID 115688641
2-bromo-N-(1,4-dithian-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106078422
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-1-propylpyrrole-3-sulfonamide
CID 106078423

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide (CID 106078465) is 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NCC1CSCCS1.
What is the InChIKey of 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is YBTKTYXZIWDQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S4/c1-8-11(4-9(5-12)18-8)19(14,15)13-6-10-7-16-2-3-17-10/h4,10,13H,2-3,5-7,12H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 338.55 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106078465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).