(3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate

C14H21NO5S — CID 65380307

IUPAC(3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate
SMILESCc1oc(C(=O)OC2CCC(C)C(C)C2)cc1S(N)(=O)=O
InChIInChI=1S/C14H21NO5S/c1-8-4-5-11(6-9(8)2)20-14(16)12-7-13(10(3)19-12)21(15,17)18/h7-9,11H,4-6H2,1-3H3,(H2,15,17,18)
InChIKeyBTQKRNKWHKNZQK-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.22
Rot. Bonds3

About (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate

(3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate (PubChem CID 65380307) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate
PubChem CID65380307
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name(3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate
SMILESCc1oc(C(=O)OC2CCC(C)C(C)C2)cc1S(N)(=O)=O
InChIInChI=1S/C14H21NO5S/c1-8-4-5-11(6-9(8)2)20-14(16)12-7-13(10(3)19-12)21(15,17)18/h7-9,11H,4-6H2,1-3H3,(H2,15,17,18)
InChIKeyBTQKRNKWHKNZQK-UHFFFAOYSA-N
XLogP2.22
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate?
The IUPAC name of (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate (CID 65380307) is (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate is Cc1oc(C(=O)OC2CCC(C)C(C)C2)cc1S(N)(=O)=O.
What is the InChIKey of (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate?
The InChIKey is BTQKRNKWHKNZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-8-4-5-11(6-9(8)2)20-14(16)12-7-13(10(3)19-12)21(15,17)18/h7-9,11H,4-6H2,1-3H3,(H2,15,17,18).
What are the key properties of (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate?
(3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate has a molecular weight of 315.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 65380307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).