N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H18N2O2S2 — CID 65034889

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2CCS(=O)(=O)C2)SC1
InChIInChI=1S/C10H18N2O2S2/c1-8-4-11-10(15-6-8)12-5-9-2-3-16(13,14)7-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyZOVOXHRAZOXNPU-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.75
Rot. Bonds2

About N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65034889) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65034889
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2CCS(=O)(=O)C2)SC1
InChIInChI=1S/C10H18N2O2S2/c1-8-4-11-10(15-6-8)12-5-9-2-3-16(13,14)7-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyZOVOXHRAZOXNPU-UHFFFAOYSA-N
XLogP0.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65034889) is N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCC2CCS(=O)(=O)C2)SC1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ZOVOXHRAZOXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-8-4-11-10(15-6-8)12-5-9-2-3-16(13,14)7-9/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65034889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).