[amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium

C6H10N3O3S2+ — CID 135460908

IUPAC[amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium
SMILESNC(=[NH+]NC=O)SC1C=CS(=O)(=O)C1
InChIInChI=1S/C6H9N3O3S2/c7-6(9-8-4-10)13-5-1-2-14(11,12)3-5/h1-2,4-5H,3H2,(H2,7,9)(H,8,10)/p+1
InChIKeyIMZSMYZVYUHWAB-UHFFFAOYSA-O
MW236.30 g/mol
LogP-2.91
Rot. Bonds3

About [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium

[amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium (PubChem CID 135460908) has the molecular formula C6H10N3O3S2+ and a molecular weight of 236.30 g/mol. Its IUPAC name is [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium.

Molecular Properties

Compound Name[amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium
PubChem CID135460908
Molecular FormulaC6H10N3O3S2+
Molecular Weight236.30 g/mol
Exact Mass236.02
IUPAC Name[amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium
SMILESNC(=[NH+]NC=O)SC1C=CS(=O)(=O)C1
InChIInChI=1S/C6H9N3O3S2/c7-6(9-8-4-10)13-5-1-2-14(11,12)3-5/h1-2,4-5H,3H2,(H2,7,9)(H,8,10)/p+1
InChIKeyIMZSMYZVYUHWAB-UHFFFAOYSA-O
XLogP-2.91
TPSA103.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-2.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate
CID 51421535
(1,1-dioxo-2,3-dihydrothiophen-3-yl) N,N-diethylcarbamodithioate
CID 3699587
3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
CID 3760753
N-(3-methylbut-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 103605385
N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60694060
(3S)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 7059052
N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 79167277
methyl 2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate
CID 7116289
(Z)-4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-ethylbut-2-enoic acid
CID 103255036
N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60693769
N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 80693750
N-[(E)-4-chlorobut-2-enyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 81429423

Frequently Asked Questions

What is the IUPAC name of [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium?
The IUPAC name of [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium (CID 135460908) is [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium.
What is the SMILES notation for [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium?
The canonical SMILES for [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium is NC(=[NH+]NC=O)SC1C=CS(=O)(=O)C1.
What is the InChIKey of [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium?
The InChIKey is IMZSMYZVYUHWAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N3O3S2/c7-6(9-8-4-10)13-5-1-2-14(11,12)3-5/h1-2,4-5H,3H2,(H2,7,9)(H,8,10)/p+1.
What are the key properties of [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium?
[amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium has a molecular weight of 236.30 g/mol, XLogP of -2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium is sourced from PubChem (CID 135460908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).