4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide

C12H19N3O2S2 — CID 107294980

IUPAC4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCC2CCSC2)c1
InChIInChI=1S/C12H19N3O2S2/c1-14-19(16,17)10-2-3-11(13)12(6-10)15-7-9-4-5-18-8-9/h2-3,6,9,14-15H,4-5,7-8,13H2,1H3
InChIKeyQXPIHYGFMLYWRA-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.34
Rot. Bonds5

About 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide

4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide (PubChem CID 107294980) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide
PubChem CID107294980
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCC2CCSC2)c1
InChIInChI=1S/C12H19N3O2S2/c1-14-19(16,17)10-2-3-11(13)12(6-10)15-7-9-4-5-18-8-9/h2-3,6,9,14-15H,4-5,7-8,13H2,1H3
InChIKeyQXPIHYGFMLYWRA-UHFFFAOYSA-N
XLogP1.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(1,4-dioxan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 82898527
4-amino-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297052
3-amino-N-methyl-4-(thian-2-ylmethylamino)benzenesulfonamide
CID 80596361
4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106007379
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide (CID 107294980) is 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NCC2CCSC2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide?
The InChIKey is QXPIHYGFMLYWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-14-19(16,17)10-2-3-11(13)12(6-10)15-7-9-4-5-18-8-9/h2-3,6,9,14-15H,4-5,7-8,13H2,1H3.
What are the key properties of 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide?
4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide has a molecular weight of 301.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 107294980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).