methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate

C17H30N2O6S — CID 167524682

IUPACmethyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)CCN(C(=O)OC1CCN(S(C)(=O)=O)CC1)C1CCCCC1
InChIInChI=1S/C17H30N2O6S/c1-24-16(20)10-13-19(14-6-4-3-5-7-14)17(21)25-15-8-11-18(12-9-15)26(2,22)23/h14-15H,3-13H2,1-2H3
InChIKeyOOKLASSRUJZNFL-UHFFFAOYSA-N
MW390.50 g/mol
LogP1.74
Rot. Bonds6

About methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate

methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate (PubChem CID 167524682) has the molecular formula C17H30N2O6S and a molecular weight of 390.50 g/mol. Its IUPAC name is methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate
PubChem CID167524682
Molecular FormulaC17H30N2O6S
Molecular Weight390.50 g/mol
Exact Mass390.18
IUPAC Namemethyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)CCN(C(=O)OC1CCN(S(C)(=O)=O)CC1)C1CCCCC1
InChIInChI=1S/C17H30N2O6S/c1-24-16(20)10-13-19(14-6-4-3-5-7-14)17(21)25-15-8-11-18(12-9-15)26(2,22)23/h14-15H,3-13H2,1-2H3
InChIKeyOOKLASSRUJZNFL-UHFFFAOYSA-N
XLogP1.74
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate (CID 167524682) is methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate is COC(=O)CCN(C(=O)OC1CCN(S(C)(=O)=O)CC1)C1CCCCC1.
What is the InChIKey of methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate?
The InChIKey is OOKLASSRUJZNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O6S/c1-24-16(20)10-13-19(14-6-4-3-5-7-14)17(21)25-15-8-11-18(12-9-15)26(2,22)23/h14-15H,3-13H2,1-2H3.
What are the key properties of methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate?
methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate has a molecular weight of 390.50 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 167524682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).