ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate

C13H25NO3S — CID 23154158

IUPACethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NS(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25NO3S/c1-5-17-12(15)10-6-8-11(9-7-10)14-18(16)13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyFUINGXVTZXYNLM-UHFFFAOYSA-N
MW275.41 g/mol
LogP2.16
Rot. Bonds4

About ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate

ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate (PubChem CID 23154158) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate
PubChem CID23154158
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Nameethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NS(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25NO3S/c1-5-17-12(15)10-6-8-11(9-7-10)14-18(16)13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyFUINGXVTZXYNLM-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 172760968
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[(3-amino-3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 112753907
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
ethyl 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738203
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
CID 66671278

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate (CID 23154158) is ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NS(=O)C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate?
The InChIKey is FUINGXVTZXYNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-5-17-12(15)10-6-8-11(9-7-10)14-18(16)13(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate?
ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate has a molecular weight of 275.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 23154158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).