5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide

C12H18N2O3S2 — CID 103062286

IUPAC5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C12H18N2O3S2/c1-8-5-11(17-2)12(6-10(8)13)19(15,16)14-9-3-4-18-7-9/h5-6,9,14H,3-4,7,13H2,1-2H3
InChIKeyKGDOQMPRNHNLJC-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.37
Rot. Bonds4

About 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide

5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 103062286) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID103062286
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C12H18N2O3S2/c1-8-5-11(17-2)12(6-10(8)13)19(15,16)14-9-3-4-18-7-9/h5-6,9,14H,3-4,7,13H2,1-2H3
InChIKeyKGDOQMPRNHNLJC-UHFFFAOYSA-N
XLogP1.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377
5-(aminomethyl)-2,4-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 106086279
2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064624
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide (CID 103062286) is 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is KGDOQMPRNHNLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-8-5-11(17-2)12(6-10(8)13)19(15,16)14-9-3-4-18-7-9/h5-6,9,14H,3-4,7,13H2,1-2H3.
What are the key properties of 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide?
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103062286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).