6-amino-1-propylsulfonylhexan-3-one

C9H19NO3S — CID 106736174

IUPAC6-amino-1-propylsulfonylhexan-3-one
SMILESCCCS(=O)(=O)CCC(=O)CCCN
InChIInChI=1S/C9H19NO3S/c1-2-7-14(12,13)8-5-9(11)4-3-6-10/h2-8,10H2,1H3
InChIKeyYUAJNYBGRZFBDY-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.51
Rot. Bonds8

About 6-amino-1-propylsulfonylhexan-3-one

6-amino-1-propylsulfonylhexan-3-one (PubChem CID 106736174) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 6-amino-1-propylsulfonylhexan-3-one.

Molecular Properties

Compound Name6-amino-1-propylsulfonylhexan-3-one
PubChem CID106736174
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name6-amino-1-propylsulfonylhexan-3-one
SMILESCCCS(=O)(=O)CCC(=O)CCCN
InChIInChI=1S/C9H19NO3S/c1-2-7-14(12,13)8-5-9(11)4-3-6-10/h2-8,10H2,1H3
InChIKeyYUAJNYBGRZFBDY-UHFFFAOYSA-N
XLogP0.51
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-propylsulfonylhexan-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

Related Compounds

6-propylsulfonylhexan-3-one
CID 106727029
1-(methylamino)-5-propylsulfonylpentan-3-one
CID 106736291
1-(ethylamino)-5-propylsulfonylpentan-3-one
CID 106736352
8-aminooctan-4-one
CID 25202394
2-propylsulfonylethanamine;hydrochloride
CID 87608994
1-(ethylamino)-4-propylsulfonylbutan-2-one
CID 106736312
1-propylsulfonylpropane
CID 11709
3-butylsulfonylpropan-1-amine
CID 43615632
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718
4-(aminomethyl)-4-methyl-1-propylsulfonylhexan-3-one
CID 106736910
3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide
CID 115319221
N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
CID 106722606

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propylsulfonylhexan-3-one?
The IUPAC name of 6-amino-1-propylsulfonylhexan-3-one (CID 106736174) is 6-amino-1-propylsulfonylhexan-3-one.
What is the SMILES notation for 6-amino-1-propylsulfonylhexan-3-one?
The canonical SMILES for 6-amino-1-propylsulfonylhexan-3-one is CCCS(=O)(=O)CCC(=O)CCCN.
What is the InChIKey of 6-amino-1-propylsulfonylhexan-3-one?
The InChIKey is YUAJNYBGRZFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-7-14(12,13)8-5-9(11)4-3-6-10/h2-8,10H2,1H3.
What are the key properties of 6-amino-1-propylsulfonylhexan-3-one?
6-amino-1-propylsulfonylhexan-3-one has a molecular weight of 221.32 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propylsulfonylhexan-3-one is sourced from PubChem (CID 106736174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).