3-amino-N-cyclopropylsulfonyl-3-methylbutanamide

C8H16N2O3S — CID 103308603

IUPAC3-amino-N-cyclopropylsulfonyl-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H16N2O3S/c1-8(2,9)5-7(11)10-14(12,13)6-3-4-6/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyNJAYDWPSQAQCDB-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.28
Rot. Bonds4

About 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide

3-amino-N-cyclopropylsulfonyl-3-methylbutanamide (PubChem CID 103308603) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropylsulfonyl-3-methylbutanamide
PubChem CID103308603
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name3-amino-N-cyclopropylsulfonyl-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H16N2O3S/c1-8(2,9)5-7(11)10-14(12,13)6-3-4-6/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyNJAYDWPSQAQCDB-UHFFFAOYSA-N
XLogP-0.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide?
The IUPAC name of 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide (CID 103308603) is 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide?
The canonical SMILES for 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide is CC(C)(N)CC(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide?
The InChIKey is NJAYDWPSQAQCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-8(2,9)5-7(11)10-14(12,13)6-3-4-6/h6H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide?
3-amino-N-cyclopropylsulfonyl-3-methylbutanamide has a molecular weight of 220.29 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropylsulfonyl-3-methylbutanamide is sourced from PubChem (CID 103308603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).