ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate

C12H23NO4S — CID 62401631

IUPACethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H23NO4S/c1-4-17-12(14)10-5-7-11(8-6-10)13-18(15,16)9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyKRMGSRRGAZVBFU-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.44
Rot. Bonds5

About ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate

ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate (PubChem CID 62401631) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
PubChem CID62401631
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Nameethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H23NO4S/c1-4-17-12(14)10-5-7-11(8-6-10)13-18(15,16)9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyKRMGSRRGAZVBFU-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738207
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate
CID 54866931
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 3-(pentan-3-ylamino)cyclopentane-1-carboxylate
CID 104628488
ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297446
ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate
CID 115906978
ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate
CID 54866990
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate (CID 62401631) is ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1.
What is the InChIKey of ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate?
The InChIKey is KRMGSRRGAZVBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-4-17-12(14)10-5-7-11(8-6-10)13-18(15,16)9(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate?
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate has a molecular weight of 277.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 62401631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).