3-(2-methylpropylsulfonylamino)propanamide

C7H16N2O3S — CID 21086123

IUPAC3-(2-methylpropylsulfonylamino)propanamide
SMILESCC(C)CS(=O)(=O)NCCC(N)=O
InChIInChI=1S/C7H16N2O3S/c1-6(2)5-13(11,12)9-4-3-7(8)10/h6,9H,3-5H2,1-2H3,(H2,8,10)
InChIKeyPJHRWHVOVVVQNI-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.56
Rot. Bonds6

About 3-(2-methylpropylsulfonylamino)propanamide

3-(2-methylpropylsulfonylamino)propanamide (PubChem CID 21086123) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonylamino)propanamide.

Molecular Properties

Compound Name3-(2-methylpropylsulfonylamino)propanamide
PubChem CID21086123
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-(2-methylpropylsulfonylamino)propanamide
SMILESCC(C)CS(=O)(=O)NCCC(N)=O
InChIInChI=1S/C7H16N2O3S/c1-6(2)5-13(11,12)9-4-3-7(8)10/h6,9H,3-5H2,1-2H3,(H2,8,10)
InChIKeyPJHRWHVOVVVQNI-UHFFFAOYSA-N
XLogP-0.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonylamino)propanamide?
The IUPAC name of 3-(2-methylpropylsulfonylamino)propanamide (CID 21086123) is 3-(2-methylpropylsulfonylamino)propanamide.
What is the SMILES notation for 3-(2-methylpropylsulfonylamino)propanamide?
The canonical SMILES for 3-(2-methylpropylsulfonylamino)propanamide is CC(C)CS(=O)(=O)NCCC(N)=O.
What is the InChIKey of 3-(2-methylpropylsulfonylamino)propanamide?
The InChIKey is PJHRWHVOVVVQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)5-13(11,12)9-4-3-7(8)10/h6,9H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of 3-(2-methylpropylsulfonylamino)propanamide?
3-(2-methylpropylsulfonylamino)propanamide has a molecular weight of 208.28 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonylamino)propanamide is sourced from PubChem (CID 21086123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).