N-ethylmethanesulfinamide

C3H9NOS — CID 54398806

IUPACN-ethylmethanesulfinamide
SMILESCCNS(C)=O
InChIInChI=1S/C3H9NOS/c1-3-4-6(2)5/h4H,3H2,1-2H3
InChIKeyVLXXSIMCHZDHIN-UHFFFAOYSA-N
MW107.18 g/mol
LogP-0.11
Rot. Bonds2

About N-ethylmethanesulfinamide

N-ethylmethanesulfinamide (PubChem CID 54398806) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is N-ethylmethanesulfinamide.

Molecular Properties

Compound NameN-ethylmethanesulfinamide
PubChem CID54398806
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC NameN-ethylmethanesulfinamide
SMILESCCNS(C)=O
InChIInChI=1S/C3H9NOS/c1-3-4-6(2)5/h4H,3H2,1-2H3
InChIKeyVLXXSIMCHZDHIN-UHFFFAOYSA-N
XLogP-0.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethylmethanesulfinamide?
The IUPAC name of N-ethylmethanesulfinamide (CID 54398806) is N-ethylmethanesulfinamide.
What is the SMILES notation for N-ethylmethanesulfinamide?
The canonical SMILES for N-ethylmethanesulfinamide is CCNS(C)=O.
What is the InChIKey of N-ethylmethanesulfinamide?
The InChIKey is VLXXSIMCHZDHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOS/c1-3-4-6(2)5/h4H,3H2,1-2H3.
What are the key properties of N-ethylmethanesulfinamide?
N-ethylmethanesulfinamide has a molecular weight of 107.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylmethanesulfinamide is sourced from PubChem (CID 54398806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).