3-methyl-3-(propylsulfonylamino)butanamide

C8H18N2O3S — CID 104600895

IUPAC3-methyl-3-(propylsulfonylamino)butanamide
SMILESCCCS(=O)(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-8(2,3)6-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11)
InChIKeyZTGBWKCERHLYPX-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.03
Rot. Bonds6

About 3-methyl-3-(propylsulfonylamino)butanamide

3-methyl-3-(propylsulfonylamino)butanamide (PubChem CID 104600895) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-methyl-3-(propylsulfonylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(propylsulfonylamino)butanamide
PubChem CID104600895
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-methyl-3-(propylsulfonylamino)butanamide
SMILESCCCS(=O)(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-8(2,3)6-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11)
InChIKeyZTGBWKCERHLYPX-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(propylsulfonylamino)butanamide?
The IUPAC name of 3-methyl-3-(propylsulfonylamino)butanamide (CID 104600895) is 3-methyl-3-(propylsulfonylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(propylsulfonylamino)butanamide?
The canonical SMILES for 3-methyl-3-(propylsulfonylamino)butanamide is CCCS(=O)(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-(propylsulfonylamino)butanamide?
The InChIKey is ZTGBWKCERHLYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-8(2,3)6-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 3-methyl-3-(propylsulfonylamino)butanamide?
3-methyl-3-(propylsulfonylamino)butanamide has a molecular weight of 222.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propylsulfonylamino)butanamide is sourced from PubChem (CID 104600895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).