N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine

C4H11NOS — CID 13349447

IUPACN-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine
SMILESC=S(C)(=O)N(C)C
InChIInChI=1S/C4H11NOS/c1-5(2)7(3,4)6/h3H2,1-2,4H3
InChIKeyPILGOGAVQHJBNC-UHFFFAOYSA-N
MW121.20 g/mol
LogP-0.19
Rot. Bonds1

About N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine

N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine (PubChem CID 13349447) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine
PubChem CID13349447
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC NameN-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine
SMILESC=S(C)(=O)N(C)C
InChIInChI=1S/C4H11NOS/c1-5(2)7(3,4)6/h3H2,1-2,4H3
InChIKeyPILGOGAVQHJBNC-UHFFFAOYSA-N
XLogP-0.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
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-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine?
The IUPAC name of N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine (CID 13349447) is N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine.
What is the SMILES notation for N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine?
The canonical SMILES for N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine is C=S(C)(=O)N(C)C.
What is the InChIKey of N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine?
The InChIKey is PILGOGAVQHJBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-5(2)7(3,4)6/h3H2,1-2,4H3.
What are the key properties of N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine?
N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine has a molecular weight of 121.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine is sourced from PubChem (CID 13349447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).