N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C13H19N3O3S — CID 102884982

IUPACN-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1CS(=O)(=O)CCN1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H19N3O3S/c1-10-9-20(18,19)7-6-16(10)13(17)15-12-4-2-11(8-14)3-5-12/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyZFPBXMAETXSFFO-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.80
Rot. Bonds2

About N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 102884982) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID102884982
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1CS(=O)(=O)CCN1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H19N3O3S/c1-10-9-20(18,19)7-6-16(10)13(17)15-12-4-2-11(8-14)3-5-12/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyZFPBXMAETXSFFO-UHFFFAOYSA-N
XLogP0.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 102884982) is N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC1CS(=O)(=O)CCN1C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is ZFPBXMAETXSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10-9-20(18,19)7-6-16(10)13(17)15-12-4-2-11(8-14)3-5-12/h2-5,10H,6-9,14H2,1H3,(H,15,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 102884982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).