1-(ethylamino)-5-propylsulfonylpentan-3-one

C10H21NO3S — CID 106736352

IUPAC1-(ethylamino)-5-propylsulfonylpentan-3-one
SMILESCCCS(=O)(=O)CCC(=O)CCNCC
InChIInChI=1S/C10H21NO3S/c1-3-8-15(13,14)9-6-10(12)5-7-11-4-2/h11H,3-9H2,1-2H3
InChIKeyJBTDUPOBPDLCQW-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.77
Rot. Bonds9

About 1-(ethylamino)-5-propylsulfonylpentan-3-one

1-(ethylamino)-5-propylsulfonylpentan-3-one (PubChem CID 106736352) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(ethylamino)-5-propylsulfonylpentan-3-one.

Molecular Properties

Compound Name1-(ethylamino)-5-propylsulfonylpentan-3-one
PubChem CID106736352
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(ethylamino)-5-propylsulfonylpentan-3-one
SMILESCCCS(=O)(=O)CCC(=O)CCNCC
InChIInChI=1S/C10H21NO3S/c1-3-8-15(13,14)9-6-10(12)5-7-11-4-2/h11H,3-9H2,1-2H3
InChIKeyJBTDUPOBPDLCQW-UHFFFAOYSA-N
XLogP0.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(methylamino)-5-propylsulfonylpentan-3-one
CID 106736291
1-(ethylamino)-4-propylsulfonylbutan-2-one
CID 106736312
6-amino-1-propylsulfonylhexan-3-one
CID 106736174
ethyl 3-(2-propylsulfonylethylamino)propanoate
CID 106723560
1-propylsulfonylpropane
CID 11709
N-(2-propylsulfonylethyl)acetamide
CID 142065321
6-propylsulfonylhexan-3-one
CID 106727029
4-(ethylamino)-1-methoxybutan-2-one
CID 116565746
methyl 2-(2-propylsulfonylethylamino)acetate
CID 106722896
N-[2-(2-propylsulfonylethylamino)ethyl]acetamide
CID 106723232
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
3-(ethylamino)-N-ethylsulfonylpropanamide
CID 103306787

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5-propylsulfonylpentan-3-one?
The IUPAC name of 1-(ethylamino)-5-propylsulfonylpentan-3-one (CID 106736352) is 1-(ethylamino)-5-propylsulfonylpentan-3-one.
What is the SMILES notation for 1-(ethylamino)-5-propylsulfonylpentan-3-one?
The canonical SMILES for 1-(ethylamino)-5-propylsulfonylpentan-3-one is CCCS(=O)(=O)CCC(=O)CCNCC.
What is the InChIKey of 1-(ethylamino)-5-propylsulfonylpentan-3-one?
The InChIKey is JBTDUPOBPDLCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-8-15(13,14)9-6-10(12)5-7-11-4-2/h11H,3-9H2,1-2H3.
What are the key properties of 1-(ethylamino)-5-propylsulfonylpentan-3-one?
1-(ethylamino)-5-propylsulfonylpentan-3-one has a molecular weight of 235.35 g/mol, XLogP of 0.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-5-propylsulfonylpentan-3-one is sourced from PubChem (CID 106736352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).