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

C18H20N2O4S — CID 7584602

IUPACbenzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)OCc1ccccc1
InChIInChI=1S/C18H20N2O4S/c21-18(24-14-15-6-2-1-3-7-15)19-16-8-10-17(11-9-16)20-12-4-5-13-25(20,22)23/h1-3,6-11H,4-5,12-14H2,(H,19,21)
InChIKeyWGIDFLXCOJMIOQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.37
Rot. Bonds4

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

benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate (PubChem CID 7584602) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate
PubChem CID7584602
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Namebenzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)OCc1ccccc1
InChIInChI=1S/C18H20N2O4S/c21-18(24-14-15-6-2-1-3-7-15)19-16-8-10-17(11-9-16)20-12-4-5-13-25(20,22)23/h1-3,6-11H,4-5,12-14H2,(H,19,21)
InChIKeyWGIDFLXCOJMIOQ-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate (CID 7584602) is benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate is O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate?
The InChIKey is WGIDFLXCOJMIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(24-14-15-6-2-1-3-7-15)19-16-8-10-17(11-9-16)20-12-4-5-13-25(20,22)23/h1-3,6-11H,4-5,12-14H2,(H,19,21).
What are the key properties of benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate?
benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate has a molecular weight of 360.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate is sourced from PubChem (CID 7584602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).