3-amino-N-(2-methylsulfonylethyl)propanamide

C6H14N2O3S — CID 20707560

IUPAC3-amino-N-(2-methylsulfonylethyl)propanamide
SMILESCS(=O)(=O)CCNC(=O)CCN
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)5-4-8-6(9)2-3-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyQQAAEADPNWTAIP-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.50
Rot. Bonds5

About 3-amino-N-(2-methylsulfonylethyl)propanamide

3-amino-N-(2-methylsulfonylethyl)propanamide (PubChem CID 20707560) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfonylethyl)propanamide
PubChem CID20707560
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name3-amino-N-(2-methylsulfonylethyl)propanamide
SMILESCS(=O)(=O)CCNC(=O)CCN
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)5-4-8-6(9)2-3-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyQQAAEADPNWTAIP-UHFFFAOYSA-N
XLogP-1.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 3-amino-N-(2-methylsulfonylethyl)propanamide (CID 20707560) is 3-amino-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 3-amino-N-(2-methylsulfonylethyl)propanamide is CS(=O)(=O)CCNC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is QQAAEADPNWTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-12(10,11)5-4-8-6(9)2-3-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-N-(2-methylsulfonylethyl)propanamide?
3-amino-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 194.26 g/mol, XLogP of -1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 20707560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).