N-(2-hydroxyethyl)-N-methylmethanesulfinamide

C4H11NO2S — CID 130979316

IUPACN-(2-hydroxyethyl)-N-methylmethanesulfinamide
SMILESCN(CCO)S(C)=O
InChIInChI=1S/C4H11NO2S/c1-5(3-4-6)8(2)7/h6H,3-4H2,1-2H3
InChIKeyNVFGKJSTDUUNNQ-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.80
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methylmethanesulfinamide

N-(2-hydroxyethyl)-N-methylmethanesulfinamide (PubChem CID 130979316) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylmethanesulfinamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylmethanesulfinamide
PubChem CID130979316
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC NameN-(2-hydroxyethyl)-N-methylmethanesulfinamide
SMILESCN(CCO)S(C)=O
InChIInChI=1S/C4H11NO2S/c1-5(3-4-6)8(2)7/h6H,3-4H2,1-2H3
InChIKeyNVFGKJSTDUUNNQ-UHFFFAOYSA-N
XLogP-0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylmethanesulfinamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylmethanesulfinamide (CID 130979316) is N-(2-hydroxyethyl)-N-methylmethanesulfinamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylmethanesulfinamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylmethanesulfinamide is CN(CCO)S(C)=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylmethanesulfinamide?
The InChIKey is NVFGKJSTDUUNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-5(3-4-6)8(2)7/h6H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methylmethanesulfinamide?
N-(2-hydroxyethyl)-N-methylmethanesulfinamide has a molecular weight of 137.20 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylmethanesulfinamide is sourced from PubChem (CID 130979316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).