4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine

C12H14N4O2S2 — CID 62062259

IUPAC4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESCn1cc(S(=O)(=O)N2CCSc3ccc(N)cc32)cn1
InChIInChI=1S/C12H14N4O2S2/c1-15-8-10(7-14-15)20(17,18)16-4-5-19-12-3-2-9(13)6-11(12)16/h2-3,6-8H,4-5,13H2,1H3
InChIKeyWFTFJINYXSCYAK-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.30
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine

4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 62062259) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID62062259
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESCn1cc(S(=O)(=O)N2CCSc3ccc(N)cc32)cn1
InChIInChI=1S/C12H14N4O2S2/c1-15-8-10(7-14-15)20(17,18)16-4-5-19-12-3-2-9(13)6-11(12)16/h2-3,6-8H,4-5,13H2,1H3
InChIKeyWFTFJINYXSCYAK-UHFFFAOYSA-N
XLogP1.30
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine (CID 62062259) is 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine is Cn1cc(S(=O)(=O)N2CCSc3ccc(N)cc32)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is WFTFJINYXSCYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-15-8-10(7-14-15)20(17,18)16-4-5-19-12-3-2-9(13)6-11(12)16/h2-3,6-8H,4-5,13H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine?
4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 310.40 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 62062259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).