methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate

C14H26N2O4S — CID 35322838

IUPACmethyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(=O)(=O)N2CCC[C@@H](C)C2)CCCCC1
InChIInChI=1S/C14H26N2O4S/c1-12-7-6-10-16(11-12)21(18,19)15-14(13(17)20-2)8-4-3-5-9-14/h12,15H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyIRSGCTRKKLSVFG-GFCCVEGCSA-N
MW318.44 g/mol
LogP1.43
Rot. Bonds4

About methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate

methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate (PubChem CID 35322838) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
PubChem CID35322838
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Namemethyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(=O)(=O)N2CCC[C@@H](C)C2)CCCCC1
InChIInChI=1S/C14H26N2O4S/c1-12-7-6-10-16(11-12)21(18,19)15-14(13(17)20-2)8-4-3-5-9-14/h12,15H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyIRSGCTRKKLSVFG-GFCCVEGCSA-N
XLogP1.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate (CID 35322838) is methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate is COC(=O)C1(NS(=O)(=O)N2CCC[C@@H](C)C2)CCCCC1.
What is the InChIKey of methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate?
The InChIKey is IRSGCTRKKLSVFG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-12-7-6-10-16(11-12)21(18,19)15-14(13(17)20-2)8-4-3-5-9-14/h12,15H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate?
methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate has a molecular weight of 318.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 35322838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).