1-(ethylamino)-4-propylsulfonylbutan-2-one

C9H19NO3S — CID 106736312

IUPAC1-(ethylamino)-4-propylsulfonylbutan-2-one
SMILESCCCS(=O)(=O)CCC(=O)CNCC
InChIInChI=1S/C9H19NO3S/c1-3-6-14(12,13)7-5-9(11)8-10-4-2/h10H,3-8H2,1-2H3
InChIKeyYCMWVKYKTHTMLI-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.38
Rot. Bonds8

About 1-(ethylamino)-4-propylsulfonylbutan-2-one

1-(ethylamino)-4-propylsulfonylbutan-2-one (PubChem CID 106736312) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(ethylamino)-4-propylsulfonylbutan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-4-propylsulfonylbutan-2-one
PubChem CID106736312
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(ethylamino)-4-propylsulfonylbutan-2-one
SMILESCCCS(=O)(=O)CCC(=O)CNCC
InChIInChI=1S/C9H19NO3S/c1-3-6-14(12,13)7-5-9(11)8-10-4-2/h10H,3-8H2,1-2H3
InChIKeyYCMWVKYKTHTMLI-UHFFFAOYSA-N
XLogP0.38
TPSA63.24 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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-5-propylsulfonylpentan-3-one
CID 106736352
1-(methylamino)-5-propylsulfonylpentan-3-one
CID 106736291
6-amino-1-propylsulfonylhexan-3-one
CID 106736174
1-propylsulfonylpropane
CID 11709
6-propylsulfonylhexan-3-one
CID 106727029
1-(ethylamino)-5-methylhexan-2-one
CID 116562437
methyl 2-(2-propylsulfonylethylamino)acetate
CID 106722896
N-ethylethanamine;propane-1-sulfonic acid
CID 159426890
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808
N-(2-propylsulfonylethyl)acetamide
CID 142065321
2-(2-oxodecylamino)ethanesulfonic acid
CID 167430705

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-4-propylsulfonylbutan-2-one?
The IUPAC name of 1-(ethylamino)-4-propylsulfonylbutan-2-one (CID 106736312) is 1-(ethylamino)-4-propylsulfonylbutan-2-one.
What is the SMILES notation for 1-(ethylamino)-4-propylsulfonylbutan-2-one?
The canonical SMILES for 1-(ethylamino)-4-propylsulfonylbutan-2-one is CCCS(=O)(=O)CCC(=O)CNCC.
What is the InChIKey of 1-(ethylamino)-4-propylsulfonylbutan-2-one?
The InChIKey is YCMWVKYKTHTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-6-14(12,13)7-5-9(11)8-10-4-2/h10H,3-8H2,1-2H3.
What are the key properties of 1-(ethylamino)-4-propylsulfonylbutan-2-one?
1-(ethylamino)-4-propylsulfonylbutan-2-one has a molecular weight of 221.32 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-4-propylsulfonylbutan-2-one is sourced from PubChem (CID 106736312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).