5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide

C12H19N3O2S2 — CID 103287438

IUPAC5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC1CCCSC1
InChIInChI=1S/C12H19N3O2S2/c1-14-19(16,17)12-7-9(13)4-5-11(12)15-10-3-2-6-18-8-10/h4-5,7,10,14-15H,2-3,6,8,13H2,1H3
InChIKeyZKZJAPVFADQPEE-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.48
Rot. Bonds4

About 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide

5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide (PubChem CID 103287438) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide
PubChem CID103287438
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC1CCCSC1
InChIInChI=1S/C12H19N3O2S2/c1-14-19(16,17)12-7-9(13)4-5-11(12)15-10-3-2-6-18-8-10/h4-5,7,10,14-15H,2-3,6,8,13H2,1H3
InChIKeyZKZJAPVFADQPEE-UHFFFAOYSA-N
XLogP1.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide 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

methanesulfonic acid;3-N,3-N,7-N,7-N-tetramethyl-10,10a-dihydro-3H-phenothiazine-3,7-diamine
CID 155552280
3,4-dihydro-2H-1,4-benzothiazine-1,1-dione
CID 12730654
2-[[5-Amino-2-[(2-hydroxyethyl)amino]phenyl]sulfonyl]ethanol
CID 13628647
N-Sec-butyl-4-(1,1-dioxido-1,2-thiazinan-2-YL)benzenesulfonamide
CID 16028265
1-[4-(Ethanesulfonyl)phenyl]piperidin-4-amine
CID 43383295
1-[2-(Ethanesulfonyl)phenyl]piperidin-4-amine
CID 43383320
3-ethenylsulfonyl-N-octylaniline
CID 44377626
N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
CID 95047736
N-(4-amino-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 155559983
1-(2-(Methylsulfonyl)phenyl)piperazine hydrochloride
CID 44119206
1-imino-3,4-dihydro-2H-1lambda6,4-benzothiazin-1-one
CID 132344122
3-[[(1R,2E,7Z,9Z)-cyclododeca-2,7,9-trien-1-yl]amino]-4-ethylsulfonyl-2,5,6-trifluorobenzenesulfonamide
CID 172636015

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide (CID 103287438) is 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NC1CCCSC1.
What is the InChIKey of 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide?
The InChIKey is ZKZJAPVFADQPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-14-19(16,17)12-7-9(13)4-5-11(12)15-10-3-2-6-18-8-10/h4-5,7,10,14-15H,2-3,6,8,13H2,1H3.
What are the key properties of 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide?
5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide has a molecular weight of 301.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 103287438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).