3-amino-3-methyl-N-propylsulfonylbutanamide

C8H18N2O3S — CID 103307621

IUPAC3-amino-3-methyl-N-propylsulfonylbutanamide
SMILESCCCS(=O)(=O)NC(=O)CC(C)(C)N
InChIInChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-7(11)6-8(2,3)9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyFCTCOCBXJAIXDB-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.03
Rot. Bonds5

About 3-amino-3-methyl-N-propylsulfonylbutanamide

3-amino-3-methyl-N-propylsulfonylbutanamide (PubChem CID 103307621) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-amino-3-methyl-N-propylsulfonylbutanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-propylsulfonylbutanamide
PubChem CID103307621
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-amino-3-methyl-N-propylsulfonylbutanamide
SMILESCCCS(=O)(=O)NC(=O)CC(C)(C)N
InChIInChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-7(11)6-8(2,3)9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyFCTCOCBXJAIXDB-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 ≤ 104

Analyze 3-amino-3-methyl-N-propylsulfonylbutanamide 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-3-methyl-N-propylsulfonylbutanamide?
The IUPAC name of 3-amino-3-methyl-N-propylsulfonylbutanamide (CID 103307621) is 3-amino-3-methyl-N-propylsulfonylbutanamide.
What is the SMILES notation for 3-amino-3-methyl-N-propylsulfonylbutanamide?
The canonical SMILES for 3-amino-3-methyl-N-propylsulfonylbutanamide is CCCS(=O)(=O)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-propylsulfonylbutanamide?
The InChIKey is FCTCOCBXJAIXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-7(11)6-8(2,3)9/h4-6,9H2,1-3H3,(H,10,11).
What are the key properties of 3-amino-3-methyl-N-propylsulfonylbutanamide?
3-amino-3-methyl-N-propylsulfonylbutanamide has a molecular weight of 222.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-propylsulfonylbutanamide is sourced from PubChem (CID 103307621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).