N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C11H15ClN2O3S2 — CID 71933396

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)s1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15ClN2O3S2/c12-10-2-1-9(18-10)3-4-13-11(15)14-5-7-19(16,17)8-6-14/h1-2H,3-8H2,(H,13,15)
InChIKeyAJOFEHFTJIPFHN-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.38
Rot. Bonds3

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 71933396) has the molecular formula C11H15ClN2O3S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID71933396
Molecular FormulaC11H15ClN2O3S2
Molecular Weight322.84 g/mol
Exact Mass322.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)s1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15ClN2O3S2/c12-10-2-1-9(18-10)3-4-13-11(15)14-5-7-19(16,17)8-6-14/h1-2H,3-8H2,(H,13,15)
InChIKeyAJOFEHFTJIPFHN-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 71933396) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(NCCc1ccc(Cl)s1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is AJOFEHFTJIPFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S2/c12-10-2-1-9(18-10)3-4-13-11(15)14-5-7-19(16,17)8-6-14/h1-2H,3-8H2,(H,13,15).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 71933396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).