2-(ethylamino)-1-ethylsulfonylpentan-3-one

C9H19NO3S — CID 89317453

IUPAC2-(ethylamino)-1-ethylsulfonylpentan-3-one
SMILESCCNC(CS(=O)(=O)CC)C(=O)CC
InChIInChI=1S/C9H19NO3S/c1-4-9(11)8(10-5-2)7-14(12,13)6-3/h8,10H,4-7H2,1-3H3
InChIKeyOMKTZQGIFADOLT-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.38
Rot. Bonds7

About 2-(ethylamino)-1-ethylsulfonylpentan-3-one

2-(ethylamino)-1-ethylsulfonylpentan-3-one (PubChem CID 89317453) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(ethylamino)-1-ethylsulfonylpentan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-1-ethylsulfonylpentan-3-one
PubChem CID89317453
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-(ethylamino)-1-ethylsulfonylpentan-3-one
SMILESCCNC(CS(=O)(=O)CC)C(=O)CC
InChIInChI=1S/C9H19NO3S/c1-4-9(11)8(10-5-2)7-14(12,13)6-3/h8,10H,4-7H2,1-3H3
InChIKeyOMKTZQGIFADOLT-UHFFFAOYSA-N
XLogP0.38
TPSA63.24 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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-oxopentane-1-sulfonic acid
CID 167068949
4-(ethylamino)hexan-3-one
CID 91533412
2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one
CID 71154587
ethane;4-(ethylamino)-5-oxoheptanamide
CID 176556376
8-amino-4-(ethylamino)octan-3-one
CID 20755672
2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517
3-ethylsulfonyl-2-(methylamino)propanoic acid
CID 83986201
4-(ethylamino)-9,9-dimethyldecan-3-one
CID 89032970
(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one
CID 71037152
ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one
CID 177156065
1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one
CID 71154495
2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one
CID 71154702

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-ethylsulfonylpentan-3-one?
The IUPAC name of 2-(ethylamino)-1-ethylsulfonylpentan-3-one (CID 89317453) is 2-(ethylamino)-1-ethylsulfonylpentan-3-one.
What is the SMILES notation for 2-(ethylamino)-1-ethylsulfonylpentan-3-one?
The canonical SMILES for 2-(ethylamino)-1-ethylsulfonylpentan-3-one is CCNC(CS(=O)(=O)CC)C(=O)CC.
What is the InChIKey of 2-(ethylamino)-1-ethylsulfonylpentan-3-one?
The InChIKey is OMKTZQGIFADOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-4-9(11)8(10-5-2)7-14(12,13)6-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-ethylsulfonylpentan-3-one?
2-(ethylamino)-1-ethylsulfonylpentan-3-one has a molecular weight of 221.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-ethylsulfonylpentan-3-one is sourced from PubChem (CID 89317453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).