N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C11H20N2O3S — CID 110748067

IUPACN-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H20N2O3S/c14-11(12-10-4-2-1-3-5-10)13-6-8-17(15,16)9-7-13/h10H,1-9H2,(H,12,14)
InChIKeyUNQXEVFXHNISRB-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.76
Rot. Bonds1

About N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 110748067) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID110748067
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H20N2O3S/c14-11(12-10-4-2-1-3-5-10)13-6-8-17(15,16)9-7-13/h10H,1-9H2,(H,12,14)
InChIKeyUNQXEVFXHNISRB-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 110748067) is N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(NC1CCCCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is UNQXEVFXHNISRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(12-10-4-2-1-3-5-10)13-6-8-17(15,16)9-7-13/h10H,1-9H2,(H,12,14).
What are the key properties of N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 110748067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).