N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C11H20N2O2S2 — CID 114178991

IUPACN-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCC(CS(C)(=O)=O)NC1=NC2CCCC2CS1
InChIInChI=1S/C11H20N2O2S2/c1-8(7-17(2,14)15)12-11-13-10-5-3-4-9(10)6-16-11/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyTULGVSXSZUTVMC-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.28
Rot. Bonds3

About N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 114178991) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID114178991
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCC(CS(C)(=O)=O)NC1=NC2CCCC2CS1
InChIInChI=1S/C11H20N2O2S2/c1-8(7-17(2,14)15)12-11-13-10-5-3-4-9(10)6-16-11/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyTULGVSXSZUTVMC-UHFFFAOYSA-N
XLogP1.28
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 114178991) is N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is CC(CS(C)(=O)=O)NC1=NC2CCCC2CS1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is TULGVSXSZUTVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-8(7-17(2,14)15)12-11-13-10-5-3-4-9(10)6-16-11/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 114178991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).