N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide

C17H24N2O3S — CID 7584581

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)19-12-4-5-13-23(19,21)22/h8-11,14H,1-7,12-13H2,(H,18,20)
InChIKeyLAUCOGKJYFXEAQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.14
Rot. Bonds3

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide (PubChem CID 7584581) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide
PubChem CID7584581
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)19-12-4-5-13-23(19,21)22/h8-11,14H,1-7,12-13H2,(H,18,20)
InChIKeyLAUCOGKJYFXEAQ-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide (CID 7584581) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is LAUCOGKJYFXEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)19-12-4-5-13-23(19,21)22/h8-11,14H,1-7,12-13H2,(H,18,20).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 7584581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).