5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide

C14H22N2O3S2 — CID 80594961

IUPAC5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C14H22N2O3S2/c1-10-7-13(19-2)14(8-12(10)15)21(17,18)16-9-11-5-3-4-6-20-11/h7-8,11,16H,3-6,9,15H2,1-2H3
InChIKeyWRWDIISHCFPQFU-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.15
Rot. Bonds5

About 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide

5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide (PubChem CID 80594961) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
PubChem CID80594961
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C14H22N2O3S2/c1-10-7-13(19-2)14(8-12(10)15)21(17,18)16-9-11-5-3-4-6-20-11/h7-8,11,16H,3-6,9,15H2,1-2H3
InChIKeyWRWDIISHCFPQFU-UHFFFAOYSA-N
XLogP2.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.15
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-4-bromo-2-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81414086
5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79962057
5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79959373
3-amino-5-bromo-2-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 114379946
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962260
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide (CID 80594961) is 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NCC1CCCCS1.
What is the InChIKey of 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide?
The InChIKey is WRWDIISHCFPQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-10-7-13(19-2)14(8-12(10)15)21(17,18)16-9-11-5-3-4-6-20-11/h7-8,11,16H,3-6,9,15H2,1-2H3.
What are the key properties of 5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide?
5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide has a molecular weight of 330.48 g/mol, XLogP of 2.15, 5 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-(thian-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 80594961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).