N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine

C5H12N2OS — CID 143427180

IUPACN-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine
SMILESC=CNS(=C)(=O)N(C)C
InChIInChI=1S/C5H12N2OS/c1-5-6-9(4,8)7(2)3/h5H,1,4H2,2-3H3,(H,6,8)
InChIKeySNJNUFYAVWFHRU-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.17
Rot. Bonds3

About N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine

N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine (PubChem CID 143427180) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine.

Molecular Properties

Compound NameN-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine
PubChem CID143427180
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC NameN-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine
SMILESC=CNS(=C)(=O)N(C)C
InChIInChI=1S/C5H12N2OS/c1-5-6-9(4,8)7(2)3/h5H,1,4H2,2-3H3,(H,6,8)
InChIKeySNJNUFYAVWFHRU-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine?
The IUPAC name of N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine (CID 143427180) is N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine.
What is the SMILES notation for N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine?
The canonical SMILES for N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine is C=CNS(=C)(=O)N(C)C.
What is the InChIKey of N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine?
The InChIKey is SNJNUFYAVWFHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-5-6-9(4,8)7(2)3/h5H,1,4H2,2-3H3,(H,6,8).
What are the key properties of N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine?
N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine has a molecular weight of 148.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)ethenamine is sourced from PubChem (CID 143427180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).