4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide

C11H20N2O4S — CID 54914234

IUPAC4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C11H20N2O4S/c12-11(15)7-1-3-8(4-2-7)13-9-5-18(16,17)6-10(9)14/h7-10,13-14H,1-6H2,(H2,12,15)
InChIKeyMKZRBEYINGLYOA-UHFFFAOYSA-N
MW276.36 g/mol
LogP-1.22
Rot. Bonds3

About 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide

4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide (PubChem CID 54914234) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide
PubChem CID54914234
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C11H20N2O4S/c12-11(15)7-1-3-8(4-2-7)13-9-5-18(16,17)6-10(9)14/h7-10,13-14H,1-6H2,(H2,12,15)
InChIKeyMKZRBEYINGLYOA-UHFFFAOYSA-N
XLogP-1.22
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide (CID 54914234) is 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NC2CS(=O)(=O)CC2O)CC1.
What is the InChIKey of 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is MKZRBEYINGLYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c12-11(15)7-1-3-8(4-2-7)13-9-5-18(16,17)6-10(9)14/h7-10,13-14H,1-6H2,(H2,12,15).
What are the key properties of 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide?
4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 54914234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).