N-methyl-N-(2-sulfanylethyl)formamide

C4H9NOS — CID 139923648

IUPACN-methyl-N-(2-sulfanylethyl)formamide
SMILESCN(C=O)CCS
InChIInChI=1S/C4H9NOS/c1-5(4-6)2-3-7/h4,7H,2-3H2,1H3
InChIKeyFHNMKKZSOVMGCW-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.00
Rot. Bonds3

About N-methyl-N-(2-sulfanylethyl)formamide

N-methyl-N-(2-sulfanylethyl)formamide (PubChem CID 139923648) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-methyl-N-(2-sulfanylethyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(2-sulfanylethyl)formamide
PubChem CID139923648
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-methyl-N-(2-sulfanylethyl)formamide
SMILESCN(C=O)CCS
InChIInChI=1S/C4H9NOS/c1-5(4-6)2-3-7/h4,7H,2-3H2,1H3
InChIKeyFHNMKKZSOVMGCW-UHFFFAOYSA-N
XLogP0.00
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethyl)-N-methylformamide
CID 57084326
N-methyl-N-pentylformamide
CID 22754748
N-methyl-N-tetradecylformamide
CID 10422507
N-[2-(dipropylamino)ethyl]-N-methylformamide
CID 123500071
ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide
CID 143536521
N-methyl-N-(4-methylpentyl)formamide
CID 54179007
N-(3-aminobutyl)-N-methylformamide
CID 90741055
N-methyl-N-(6-oxohexyl)formamide
CID 145135012
bis(2-(dimethylamino)ethanethiol);nickel
CID 88845400
N-ethyl-N-methylformamide;propane
CID 144948396
N-methyl-N-[2-(propan-2-ylamino)ethyl]formamide
CID 134385514
N-methyl-N-(2-phenoxyethyl)formamide
CID 64992361

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-sulfanylethyl)formamide?
The IUPAC name of N-methyl-N-(2-sulfanylethyl)formamide (CID 139923648) is N-methyl-N-(2-sulfanylethyl)formamide.
What is the SMILES notation for N-methyl-N-(2-sulfanylethyl)formamide?
The canonical SMILES for N-methyl-N-(2-sulfanylethyl)formamide is CN(C=O)CCS.
What is the InChIKey of N-methyl-N-(2-sulfanylethyl)formamide?
The InChIKey is FHNMKKZSOVMGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-5(4-6)2-3-7/h4,7H,2-3H2,1H3.
What are the key properties of N-methyl-N-(2-sulfanylethyl)formamide?
N-methyl-N-(2-sulfanylethyl)formamide has a molecular weight of 119.19 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-sulfanylethyl)formamide is sourced from PubChem (CID 139923648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).