6-amino-1-propan-2-ylsulfonylhexan-3-one

C9H19NO3S — CID 106736171

IUPAC6-amino-1-propan-2-ylsulfonylhexan-3-one
SMILESCC(C)S(=O)(=O)CCC(=O)CCCN
InChIInChI=1S/C9H19NO3S/c1-8(2)14(12,13)7-5-9(11)4-3-6-10/h8H,3-7,10H2,1-2H3
InChIKeyHQVHXZRIUWWRBM-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.51
Rot. Bonds7

About 6-amino-1-propan-2-ylsulfonylhexan-3-one

6-amino-1-propan-2-ylsulfonylhexan-3-one (PubChem CID 106736171) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 6-amino-1-propan-2-ylsulfonylhexan-3-one.

Molecular Properties

Compound Name6-amino-1-propan-2-ylsulfonylhexan-3-one
PubChem CID106736171
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name6-amino-1-propan-2-ylsulfonylhexan-3-one
SMILESCC(C)S(=O)(=O)CCC(=O)CCCN
InChIInChI=1S/C9H19NO3S/c1-8(2)14(12,13)7-5-9(11)4-3-6-10/h8H,3-7,10H2,1-2H3
InChIKeyHQVHXZRIUWWRBM-UHFFFAOYSA-N
XLogP0.51
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-1-propan-2-ylsulfonylhexan-3-one 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 6-amino-1-propan-2-ylsulfonylhexan-3-one?
The IUPAC name of 6-amino-1-propan-2-ylsulfonylhexan-3-one (CID 106736171) is 6-amino-1-propan-2-ylsulfonylhexan-3-one.
What is the SMILES notation for 6-amino-1-propan-2-ylsulfonylhexan-3-one?
The canonical SMILES for 6-amino-1-propan-2-ylsulfonylhexan-3-one is CC(C)S(=O)(=O)CCC(=O)CCCN.
What is the InChIKey of 6-amino-1-propan-2-ylsulfonylhexan-3-one?
The InChIKey is HQVHXZRIUWWRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)14(12,13)7-5-9(11)4-3-6-10/h8H,3-7,10H2,1-2H3.
What are the key properties of 6-amino-1-propan-2-ylsulfonylhexan-3-one?
6-amino-1-propan-2-ylsulfonylhexan-3-one has a molecular weight of 221.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propan-2-ylsulfonylhexan-3-one is sourced from PubChem (CID 106736171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).