2-[bis(methylsulfanyl)methylidene]propanediamide

C6H10N2O2S2 — CID 134094771

IUPAC2-[bis(methylsulfanyl)methylidene]propanediamide
SMILESCSC(SC)=C(C(N)=O)C(N)=O
InChIInChI=1S/C6H10N2O2S2/c1-11-6(12-2)3(4(7)9)5(8)10/h1-2H3,(H2,7,9)(H2,8,10)
InChIKeyCQIASBPVVPTOQL-UHFFFAOYSA-N
MW206.29 g/mol
LogP-0.11
Rot. Bonds4

About 2-[bis(methylsulfanyl)methylidene]propanediamide

2-[bis(methylsulfanyl)methylidene]propanediamide (PubChem CID 134094771) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[bis(methylsulfanyl)methylidene]propanediamide.

Molecular Properties

Compound Name2-[bis(methylsulfanyl)methylidene]propanediamide
PubChem CID134094771
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name2-[bis(methylsulfanyl)methylidene]propanediamide
SMILESCSC(SC)=C(C(N)=O)C(N)=O
InChIInChI=1S/C6H10N2O2S2/c1-11-6(12-2)3(4(7)9)5(8)10/h1-2H3,(H2,7,9)(H2,8,10)
InChIKeyCQIASBPVVPTOQL-UHFFFAOYSA-N
XLogP-0.11
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

prop-1-ene-1,1,2-tricarboxamide
CID 155668965
methyl 2-amino-N-iodo-2-oxoethanimidothioate
CID 163983413
4-amino-4-methylsulfanylbut-3-en-2-one
CID 2843838
acetamide
CID 139024037
methanol;urea
CID 174800234
methylsulfanylmethanethioic S-acid
CID 13063886
2,3-dibromobut-2-enediamide
CID 54524893
ethyl 3,3-bis(methylsulfanyl)-2-(methylsulfinylmethyl)prop-2-enoate
CID 102389988
but-1-ene-1,1,2,3-tetracarboxamide
CID 54015155
diamino(113C)methanone
CID 636363
methyl carbamodithioate;silver
CID 174849393
[amino(methylsulfanyl)methylidene]azanium iodide
CID 14325100

Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylsulfanyl)methylidene]propanediamide?
The IUPAC name of 2-[bis(methylsulfanyl)methylidene]propanediamide (CID 134094771) is 2-[bis(methylsulfanyl)methylidene]propanediamide.
What is the SMILES notation for 2-[bis(methylsulfanyl)methylidene]propanediamide?
The canonical SMILES for 2-[bis(methylsulfanyl)methylidene]propanediamide is CSC(SC)=C(C(N)=O)C(N)=O.
What is the InChIKey of 2-[bis(methylsulfanyl)methylidene]propanediamide?
The InChIKey is CQIASBPVVPTOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-11-6(12-2)3(4(7)9)5(8)10/h1-2H3,(H2,7,9)(H2,8,10).
What are the key properties of 2-[bis(methylsulfanyl)methylidene]propanediamide?
2-[bis(methylsulfanyl)methylidene]propanediamide has a molecular weight of 206.29 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylsulfanyl)methylidene]propanediamide is sourced from PubChem (CID 134094771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).