2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one

C14H24N2OS — CID 59485137

IUPAC2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one
SMILESCC(C)N(C)C1=NC(=O)C2CCCCCCC2S1
InChIInChI=1S/C14H24N2OS/c1-10(2)16(3)14-15-13(17)11-8-6-4-5-7-9-12(11)18-14/h10-12H,4-9H2,1-3H3
InChIKeyFPWYUHKGMNMTDE-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.30
Rot. Bonds1

About 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one

2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one (PubChem CID 59485137) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one
PubChem CID59485137
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one
SMILESCC(C)N(C)C1=NC(=O)C2CCCCCCC2S1
InChIInChI=1S/C14H24N2OS/c1-10(2)16(3)14-15-13(17)11-8-6-4-5-7-9-12(11)18-14/h10-12H,4-9H2,1-3H3
InChIKeyFPWYUHKGMNMTDE-UHFFFAOYSA-N
XLogP3.30
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethylanilino)-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[e][1,3]thiazin-4-one
CID 59485292
2-(4-chloro-N-ethylanilino)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one
CID 59485212
2-[N-ethyl-4-(methoxymethoxy)anilino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one
CID 59485218
3-[4-[ethyl-(4-oxo-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[e][1,3]thiazin-2-yl)amino]phenyl]propanoic acid
CID 59485320
2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one
CID 59485306
2,4-dimethyl-6a,7,8,9,10,10a-hexahydro-5H-benzo[b][1,4]benzothiazepin-6-one
CID 19002419
9-thiatricyclo[8.7.0.02,8]heptadec-2(8)-ene
CID 167062966
N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 133365858
(4bR,8aS)-2-(chloromethyl)-4b,5,6,7,8,8a-hexahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 95659011
3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole
CID 104620778
4-methyl-4b,5,6,7,8,8a-hexahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 123869938
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one (CID 59485137) is 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one is CC(C)N(C)C1=NC(=O)C2CCCCCCC2S1.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one?
The InChIKey is FPWYUHKGMNMTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)16(3)14-15-13(17)11-8-6-4-5-7-9-12(11)18-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one?
2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one has a molecular weight of 268.43 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one is sourced from PubChem (CID 59485137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).