ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate

C15H29NO3S — CID 166968064

IUPACethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(CS(=O)N(CC)CC)CC1CC
InChIInChI=1S/C15H29NO3S/c1-5-13-9-12(10-14(13)15(17)19-8-4)11-20(18)16(6-2)7-3/h12-14H,5-11H2,1-4H3
InChIKeyNORUKHPHICIJGC-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.61
Rot. Bonds8

About ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate

ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate (PubChem CID 166968064) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate
PubChem CID166968064
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Nameethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(CS(=O)N(CC)CC)CC1CC
InChIInChI=1S/C15H29NO3S/c1-5-13-9-12(10-14(13)15(17)19-8-4)11-20(18)16(6-2)7-3/h12-14H,5-11H2,1-4H3
InChIKeyNORUKHPHICIJGC-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate (CID 166968064) is ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate is CCOC(=O)C1CC(CS(=O)N(CC)CC)CC1CC.
What is the InChIKey of ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate?
The InChIKey is NORUKHPHICIJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-5-13-9-12(10-14(13)15(17)19-8-4)11-20(18)16(6-2)7-3/h12-14H,5-11H2,1-4H3.
What are the key properties of ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate?
ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate has a molecular weight of 303.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylsulfinamoylmethyl)-2-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 166968064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).