N-(ethylaminomethyl)methanesulfonamide

C4H12N2O2S — CID 22609740

IUPACN-(ethylaminomethyl)methanesulfonamide
SMILESCCNCNS(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-3-5-4-6-9(2,7)8/h5-6H,3-4H2,1-2H3
InChIKeyJACCGYBVVOZVIE-UHFFFAOYSA-N
MW152.22 g/mol
LogP-0.90
Rot. Bonds4

About N-(ethylaminomethyl)methanesulfonamide

N-(ethylaminomethyl)methanesulfonamide (PubChem CID 22609740) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-(ethylaminomethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(ethylaminomethyl)methanesulfonamide
PubChem CID22609740
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC NameN-(ethylaminomethyl)methanesulfonamide
SMILESCCNCNS(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-3-5-4-6-9(2,7)8/h5-6H,3-4H2,1-2H3
InChIKeyJACCGYBVVOZVIE-UHFFFAOYSA-N
XLogP-0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylaminomethyl)methanesulfonamide?
The IUPAC name of N-(ethylaminomethyl)methanesulfonamide (CID 22609740) is N-(ethylaminomethyl)methanesulfonamide.
What is the SMILES notation for N-(ethylaminomethyl)methanesulfonamide?
The canonical SMILES for N-(ethylaminomethyl)methanesulfonamide is CCNCNS(C)(=O)=O.
What is the InChIKey of N-(ethylaminomethyl)methanesulfonamide?
The InChIKey is JACCGYBVVOZVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-3-5-4-6-9(2,7)8/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(ethylaminomethyl)methanesulfonamide?
N-(ethylaminomethyl)methanesulfonamide has a molecular weight of 152.22 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylaminomethyl)methanesulfonamide is sourced from PubChem (CID 22609740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).