N-methyl-N-methylsulfanylformamide

C3H7NOS — CID 87908601

IUPACN-methyl-N-methylsulfanylformamide
SMILESCSN(C)C=O
InChIInChI=1S/C3H7NOS/c1-4(3-5)6-2/h3H,1-2H3
InChIKeyNXVYTSIOYTUERZ-UHFFFAOYSA-N
MW105.16 g/mol
LogP0.35
Rot. Bonds2

About N-methyl-N-methylsulfanylformamide

N-methyl-N-methylsulfanylformamide (PubChem CID 87908601) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is N-methyl-N-methylsulfanylformamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfanylformamide
PubChem CID87908601
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC NameN-methyl-N-methylsulfanylformamide
SMILESCSN(C)C=O
InChIInChI=1S/C3H7NOS/c1-4(3-5)6-2/h3H,1-2H3
InChIKeyNXVYTSIOYTUERZ-UHFFFAOYSA-N
XLogP0.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-sulfanylformamide
CID 23317740
N-methyl-N-formylaminosulfenyl chloride
CID 12819418
S-(dimethylamino) methanethioate
CID 20475376
Formyl-dimethyl-sulfidoazanium
CID 140339264
N-sulfanyl-N-(sulfanylmethyl)formamide
CID 142755583
N-formyl-N-methylsulfanylformamide
CID 173292578
N-methyl-N-sulfanylformamide chloride
CID 23317739
N-methyl-N-methylsulfinylformamide
CID 144847598

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfanylformamide?
The IUPAC name of N-methyl-N-methylsulfanylformamide (CID 87908601) is N-methyl-N-methylsulfanylformamide.
What is the SMILES notation for N-methyl-N-methylsulfanylformamide?
The canonical SMILES for N-methyl-N-methylsulfanylformamide is CSN(C)C=O.
What is the InChIKey of N-methyl-N-methylsulfanylformamide?
The InChIKey is NXVYTSIOYTUERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c1-4(3-5)6-2/h3H,1-2H3.
What are the key properties of N-methyl-N-methylsulfanylformamide?
N-methyl-N-methylsulfanylformamide has a molecular weight of 105.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfanylformamide is sourced from PubChem (CID 87908601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).