methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane

C5H15N3O3S2 — CID 158192011

IUPACmethanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane
SMILESCN.CNC(=O)S(=O)C(=O)NC.S
InChIInChI=1S/C4H8N2O3S.CH5N.H2S/c1-5-3(7)10(9)4(8)6-2;1-2;/h1-2H3,(H,5,7)(H,6,8);2H2,1H3;1H2
InChIKeyRLNNIDOBRVUEMJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP-0.90
Rot. Bonds

About methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane

methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane (PubChem CID 158192011) has the molecular formula C5H15N3O3S2 and a molecular weight of 229.33 g/mol. Its IUPAC name is methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane.

Molecular Properties

Compound Namemethanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane
PubChem CID158192011
Molecular FormulaC5H15N3O3S2
Molecular Weight229.33 g/mol
Exact Mass229.06
IUPAC Namemethanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane
SMILESCN.CNC(=O)S(=O)C(=O)NC.S
InChIInChI=1S/C4H8N2O3S.CH5N.H2S/c1-5-3(7)10(9)4(8)6-2;1-2;/h1-2H3,(H,5,7)(H,6,8);2H2,1H3;1H2
InChIKeyRLNNIDOBRVUEMJ-UHFFFAOYSA-N
XLogP-0.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane?
The IUPAC name of methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane (CID 158192011) is methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane.
What is the SMILES notation for methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane?
The canonical SMILES for methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane is CN.CNC(=O)S(=O)C(=O)NC.S.
What is the InChIKey of methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane?
The InChIKey is RLNNIDOBRVUEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3S.CH5N.H2S/c1-5-3(7)10(9)4(8)6-2;1-2;/h1-2H3,(H,5,7)(H,6,8);2H2,1H3;1H2.
What are the key properties of methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane?
methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane has a molecular weight of 229.33 g/mol, XLogP of -0.90, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-methyl-1-(methylcarbamoylsulfinyl)formamide;sulfane is sourced from PubChem (CID 158192011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).