methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate

C13H25NO5S — CID 115674517

IUPACmethyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)CCOC(C)C)CC1
InChIInChI=1S/C13H25NO5S/c1-10(2)19-8-9-20(16,17)14-12-6-4-11(5-7-12)13(15)18-3/h10-12,14H,4-9H2,1-3H3
InChIKeyHFVPZMIQKIKCJS-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.06
Rot. Bonds7

About methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate

methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate (PubChem CID 115674517) has the molecular formula C13H25NO5S and a molecular weight of 307.41 g/mol. Its IUPAC name is methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate
PubChem CID115674517
Molecular FormulaC13H25NO5S
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC Namemethyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)CCOC(C)C)CC1
InChIInChI=1S/C13H25NO5S/c1-10(2)19-8-9-20(16,17)14-12-6-4-11(5-7-12)13(15)18-3/h10-12,14H,4-9H2,1-3H3
InChIKeyHFVPZMIQKIKCJS-UHFFFAOYSA-N
XLogP1.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
CID 112690080
methyl 4-(difluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 112690078
methyl 4-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylate
CID 114450672
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229868
methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
CID 112690018
methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
CID 114811643
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate
CID 112753596
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
methyl 4-(chlorosulfonylmethyl)cyclohexane-1-carboxylate
CID 137393791
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 104981847

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate (CID 115674517) is methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate is COC(=O)C1CCC(NS(=O)(=O)CCOC(C)C)CC1.
What is the InChIKey of methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate?
The InChIKey is HFVPZMIQKIKCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S/c1-10(2)19-8-9-20(16,17)14-12-6-4-11(5-7-12)13(15)18-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate?
methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate has a molecular weight of 307.41 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115674517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).