2-[(sulfamoylamino)methyl]-1,4-dithiane

C5H12N2O2S3 — CID 115688641

IUPAC2-[(sulfamoylamino)methyl]-1,4-dithiane
SMILESNS(=O)(=O)NCC1CSCCS1
InChIInChI=1S/C5H12N2O2S3/c6-12(8,9)7-3-5-4-10-1-2-11-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyNHJMDDDSKWCGIE-UHFFFAOYSA-N
MW228.36 g/mol
LogP-0.37
Rot. Bonds3

About 2-[(sulfamoylamino)methyl]-1,4-dithiane

2-[(sulfamoylamino)methyl]-1,4-dithiane (PubChem CID 115688641) has the molecular formula C5H12N2O2S3 and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[(sulfamoylamino)methyl]-1,4-dithiane.

Molecular Properties

Compound Name2-[(sulfamoylamino)methyl]-1,4-dithiane
PubChem CID115688641
Molecular FormulaC5H12N2O2S3
Molecular Weight228.36 g/mol
Exact Mass228.01
IUPAC Name2-[(sulfamoylamino)methyl]-1,4-dithiane
SMILESNS(=O)(=O)NCC1CSCCS1
InChIInChI=1S/C5H12N2O2S3/c6-12(8,9)7-3-5-4-10-1-2-11-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyNHJMDDDSKWCGIE-UHFFFAOYSA-N
XLogP-0.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(sulfamoylamino)methyl]-1,4-dithiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dithian-2-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106078430
N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 115685195
N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95975392
4-bromo-2-chloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253324
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide
CID 106078465
2,5-dibromo-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253321
3-(aminomethyl)-2,5-dichloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 106078374
3-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106078424
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
CID 119326363
5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide
CID 126833104
2-chloro-4-cyano-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 103989835
3-(aminomethyl)-5-bromo-N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 106078416

Frequently Asked Questions

What is the IUPAC name of 2-[(sulfamoylamino)methyl]-1,4-dithiane?
The IUPAC name of 2-[(sulfamoylamino)methyl]-1,4-dithiane (CID 115688641) is 2-[(sulfamoylamino)methyl]-1,4-dithiane.
What is the SMILES notation for 2-[(sulfamoylamino)methyl]-1,4-dithiane?
The canonical SMILES for 2-[(sulfamoylamino)methyl]-1,4-dithiane is NS(=O)(=O)NCC1CSCCS1.
What is the InChIKey of 2-[(sulfamoylamino)methyl]-1,4-dithiane?
The InChIKey is NHJMDDDSKWCGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S3/c6-12(8,9)7-3-5-4-10-1-2-11-5/h5,7H,1-4H2,(H2,6,8,9).
What are the key properties of 2-[(sulfamoylamino)methyl]-1,4-dithiane?
2-[(sulfamoylamino)methyl]-1,4-dithiane has a molecular weight of 228.36 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(sulfamoylamino)methyl]-1,4-dithiane is sourced from PubChem (CID 115688641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).