methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate

C9H17NO4S — CID 51335913

IUPACmethyl 1-(methanesulfonamido)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(C)(=O)=O)CCCCC1
InChIInChI=1S/C9H17NO4S/c1-14-8(11)9(10-15(2,12)13)6-4-3-5-7-9/h10H,3-7H2,1-2H3
InChIKeyKOJTYKYOENIWPR-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.41
Rot. Bonds3

About methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate

methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate (PubChem CID 51335913) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methanesulfonamido)cyclohexane-1-carboxylate
PubChem CID51335913
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 1-(methanesulfonamido)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(C)(=O)=O)CCCCC1
InChIInChI=1S/C9H17NO4S/c1-14-8(11)9(10-15(2,12)13)6-4-3-5-7-9/h10H,3-7H2,1-2H3
InChIKeyKOJTYKYOENIWPR-UHFFFAOYSA-N
XLogP0.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate (CID 51335913) is methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate is COC(=O)C1(NS(C)(=O)=O)CCCCC1.
What is the InChIKey of methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate?
The InChIKey is KOJTYKYOENIWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-8(11)9(10-15(2,12)13)6-4-3-5-7-9/h10H,3-7H2,1-2H3.
What are the key properties of methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate?
methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate has a molecular weight of 235.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methanesulfonamido)cyclohexane-1-carboxylate is sourced from PubChem (CID 51335913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).