(5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide

C8H10N2O3S2 — CID 137418047

IUPAC(5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide
SMILESC=C1C(S(=O)(=O)NO)=CC=C/C1=N/SC
InChIInChI=1S/C8H10N2O3S2/c1-6-7(9-14-2)4-3-5-8(6)15(12,13)10-11/h3-5,10-11H,1H2,2H3/b9-7-
InChIKeyFXUORDNTTZTDOD-CLFYSBASSA-N
MW246.31 g/mol
LogP1.02
Rot. Bonds3

About (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide

(5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide (PubChem CID 137418047) has the molecular formula C8H10N2O3S2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name(5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide
PubChem CID137418047
Molecular FormulaC8H10N2O3S2
Molecular Weight246.31 g/mol
Exact Mass246.01
IUPAC Name(5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide
SMILESC=C1C(S(=O)(=O)NO)=CC=C/C1=N/SC
InChIInChI=1S/C8H10N2O3S2/c1-6-7(9-14-2)4-3-5-8(6)15(12,13)10-11/h3-5,10-11H,1H2,2H3/b9-7-
InChIKeyFXUORDNTTZTDOD-CLFYSBASSA-N
XLogP1.02
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Imino-6-[2-(4-imino-6-sulfocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1-sulfonic acid
CID 87084390
2,1-Benzothiazepine-3-sulfonamide
CID 88632886
N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide
CID 123713643
N-hydroxy-3-methylidene-4-methylsulfanyliminocyclohexa-1,5-diene-1-sulfonamide
CID 124020486
N-[1-(4-sulfonylcyclohexa-1,5-dien-1-yl)ethylidene]hydroxylamine
CID 141598822
(4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide
CID 143206007
8-Methylsulfonyliminocycloocta-2,4,6-triene-1-sulfonamide
CID 163870311
6-Methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonyl chloride
CID 173465467
N-hydroxy-6-(methylideneamino)sulfanyliminocyclohexa-1,3-diene-1-sulfonamide
CID 173837269
5-Methylidene-6-methylsulfanyliminocyclohexa-1,3-diene-1-sulfinate
CID 173855548
5-Methylidene-6-methylsulfanyliminocyclohexa-1,3-diene-1-sulfinic acid
CID 173855549
(NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide
CID 177482483

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide (CID 137418047) is (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide is C=C1C(S(=O)(=O)NO)=CC=C/C1=N/SC.
What is the InChIKey of (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is FXUORDNTTZTDOD-CLFYSBASSA-N. The full InChI is InChI=1S/C8H10N2O3S2/c1-6-7(9-14-2)4-3-5-8(6)15(12,13)10-11/h3-5,10-11H,1H2,2H3/b9-7-.
What are the key properties of (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide?
(5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 137418047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).