N-methyl-2-sulfanylacetamide

C3H7NOS — CID 4047279

IUPACN-methyl-2-sulfanylacetamide
SMILESCNC(=O)CS
InChIInChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)
InChIKeyNSJNRJYQQPRCLF-UHFFFAOYSA-N
MW105.16 g/mol
LogP-0.34
Rot. Bonds1

About N-methyl-2-sulfanylacetamide

N-methyl-2-sulfanylacetamide (PubChem CID 4047279) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is N-methyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-sulfanylacetamide
PubChem CID4047279
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC NameN-methyl-2-sulfanylacetamide
SMILESCNC(=O)CS
InChIInChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)
InChIKeyNSJNRJYQQPRCLF-UHFFFAOYSA-N
XLogP-0.34
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetylcysteamine
CID 14484
3-Mercapto-N-methylpropanamide
CID 642906
2-methylthio-N-methylacetamide
CID 13553138
N-(Mercaptomethyl)acetamide
CID 18401446
Acetamidoethane thiol
CID 21320270
Dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium
CID 20662730
N-(difluoromethyl)-2-sulfanylacetamide
CID 88658009
[2-(Methylamino)-2-oxoethyl] thiohypofluorite
CID 138502694
N-Ethyl-2-sulfanylacetamide
CID 12736265
Sodium 2-(methylamino)-2-oxoethanethiolate
CID 134896571
2-sulfanyl-N-(sulfanylmethyl)acetamide
CID 12562710
N-methyl-2-sulfanylpropanamide
CID 20980427

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-sulfanylacetamide?
The IUPAC name of N-methyl-2-sulfanylacetamide (CID 4047279) is N-methyl-2-sulfanylacetamide.
What is the SMILES notation for N-methyl-2-sulfanylacetamide?
The canonical SMILES for N-methyl-2-sulfanylacetamide is CNC(=O)CS.
What is the InChIKey of N-methyl-2-sulfanylacetamide?
The InChIKey is NSJNRJYQQPRCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5).
What are the key properties of N-methyl-2-sulfanylacetamide?
N-methyl-2-sulfanylacetamide has a molecular weight of 105.16 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-sulfanylacetamide is sourced from PubChem (CID 4047279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).