1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one

C10H19NO3S — CID 116555126

IUPAC1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)CNC1CC1
InChIInChI=1S/C10H19NO3S/c1-2-15(13,14)7-3-4-10(12)8-11-9-5-6-9/h9,11H,2-8H2,1H3
InChIKeyFEYJYJCCPBJNJD-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.52
Rot. Bonds8

About 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one

1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one (PubChem CID 116555126) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one.

Molecular Properties

Compound Name1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one
PubChem CID116555126
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)CNC1CC1
InChIInChI=1S/C10H19NO3S/c1-2-15(13,14)7-3-4-10(12)8-11-9-5-6-9/h9,11H,2-8H2,1H3
InChIKeyFEYJYJCCPBJNJD-UHFFFAOYSA-N
XLogP0.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one
CID 106736202
1-cycloheptyl-5-ethylsulfonylpentan-2-one
CID 114974504
6-propylsulfonylhexan-3-one
CID 106727029
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
CID 116583438
1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one
CID 116555202
4-(2-ethylsulfonylethylamino)cyclohexan-1-ol
CID 103710266
N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine
CID 65096971
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 81024849
1-(cyclopentylamino)-5-methylhex-5-en-2-one
CID 114477892
1-(cyclopentylamino)-5-methylhexan-2-one
CID 116558960
1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol
CID 107766075
6-amino-1-ethylsulfonylheptan-4-one
CID 116555907

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one?
The IUPAC name of 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one (CID 116555126) is 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one.
What is the SMILES notation for 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one?
The canonical SMILES for 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one is CCS(=O)(=O)CCCC(=O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one?
The InChIKey is FEYJYJCCPBJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-15(13,14)7-3-4-10(12)8-11-9-5-6-9/h9,11H,2-8H2,1H3.
What are the key properties of 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one?
1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one has a molecular weight of 233.33 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one is sourced from PubChem (CID 116555126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).