tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate

C14H27NO4S — CID 116687629

IUPACtert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate
SMILESCCNC1CCCCC1S(=O)(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4S/c1-5-15-11-8-6-7-9-12(11)20(17,18)10-13(16)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyXSYKSSXFJFHLPK-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.66
Rot. Bonds5

About tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate

tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate (PubChem CID 116687629) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate
PubChem CID116687629
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Nametert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate
SMILESCCNC1CCCCC1S(=O)(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4S/c1-5-15-11-8-6-7-9-12(11)20(17,18)10-13(16)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyXSYKSSXFJFHLPK-UHFFFAOYSA-N
XLogP1.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-(ethylamino)cycloheptyl]sulfonylacetate
CID 116687573
2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide
CID 114232833
tert-butyl 2-(2-aminocyclooctyl)sulfonylacetate
CID 116687659
tert-butyl 2-cyclopentylsulfonylacetate
CID 73425315
tert-butyl 2-(2-cyanocyclopentyl)sulfonylacetate
CID 116688154
tert-butyl 2-(2-amino-3,3-dimethylcyclohexyl)sulfonylacetate
CID 116687561
2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine
CID 64676103
tert-butyl 2-(2-cyano-5-ethylcyclohexyl)sulfonylacetate
CID 116688138
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
methyl 3-[2-(propylamino)cycloheptyl]sulfonylpropanoate
CID 64675556
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
CID 103960953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate?
The IUPAC name of tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate (CID 116687629) is tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate.
What is the SMILES notation for tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate?
The canonical SMILES for tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate is CCNC1CCCCC1S(=O)(=O)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate?
The InChIKey is XSYKSSXFJFHLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-5-15-11-8-6-7-9-12(11)20(17,18)10-13(16)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate?
tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate has a molecular weight of 305.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate is sourced from PubChem (CID 116687629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).