3-(2-aminoethylsulfonylamino)-3-methylbutanamide

C7H17N3O3S — CID 106096173

IUPAC3-(2-aminoethylsulfonylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)CCN
InChIInChI=1S/C7H17N3O3S/c1-7(2,5-6(9)11)10-14(12,13)4-3-8/h10H,3-5,8H2,1-2H3,(H2,9,11)
InChIKeyVFGOLPPPVNALSC-UHFFFAOYSA-N
MW223.30 g/mol
LogP-1.48
Rot. Bonds6

About 3-(2-aminoethylsulfonylamino)-3-methylbutanamide

3-(2-aminoethylsulfonylamino)-3-methylbutanamide (PubChem CID 106096173) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(2-aminoethylsulfonylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(2-aminoethylsulfonylamino)-3-methylbutanamide
PubChem CID106096173
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name3-(2-aminoethylsulfonylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)CCN
InChIInChI=1S/C7H17N3O3S/c1-7(2,5-6(9)11)10-14(12,13)4-3-8/h10H,3-5,8H2,1-2H3,(H2,9,11)
InChIKeyVFGOLPPPVNALSC-UHFFFAOYSA-N
XLogP-1.48
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfonylamino)-3-methylbutanamide?
The IUPAC name of 3-(2-aminoethylsulfonylamino)-3-methylbutanamide (CID 106096173) is 3-(2-aminoethylsulfonylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(2-aminoethylsulfonylamino)-3-methylbutanamide?
The canonical SMILES for 3-(2-aminoethylsulfonylamino)-3-methylbutanamide is CC(C)(CC(N)=O)NS(=O)(=O)CCN.
What is the InChIKey of 3-(2-aminoethylsulfonylamino)-3-methylbutanamide?
The InChIKey is VFGOLPPPVNALSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-7(2,5-6(9)11)10-14(12,13)4-3-8/h10H,3-5,8H2,1-2H3,(H2,9,11).
What are the key properties of 3-(2-aminoethylsulfonylamino)-3-methylbutanamide?
3-(2-aminoethylsulfonylamino)-3-methylbutanamide has a molecular weight of 223.30 g/mol, XLogP of -1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfonylamino)-3-methylbutanamide is sourced from PubChem (CID 106096173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).