ethane;3-methyl-1,3-thiazinan-2-one

C7H15NOS — CID 90890028

IUPACethane;3-methyl-1,3-thiazinan-2-one
SMILESCC.CN1CCCSC1=O
InChIInChI=1S/C5H9NOS.C2H6/c1-6-3-2-4-8-5(6)7;1-2/h2-4H2,1H3;1-2H3
InChIKeyYBYLHIZIZKRRMW-UHFFFAOYSA-N
MW161.27 g/mol
LogP2.20
Rot. Bonds

About ethane;3-methyl-1,3-thiazinan-2-one

ethane;3-methyl-1,3-thiazinan-2-one (PubChem CID 90890028) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is ethane;3-methyl-1,3-thiazinan-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1,3-thiazinan-2-one
PubChem CID90890028
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Nameethane;3-methyl-1,3-thiazinan-2-one
SMILESCC.CN1CCCSC1=O
InChIInChI=1S/C5H9NOS.C2H6/c1-6-3-2-4-8-5(6)7;1-2/h2-4H2,1H3;1-2H3
InChIKeyYBYLHIZIZKRRMW-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

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CID 13352385
CID 13352386
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CID 19848473
CID 19848473
CID 19848484
CID 19848484
CID 19848523
CID 19848523
CID 60001170
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CID 67725502
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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3-thiazinan-2-one?
The IUPAC name of ethane;3-methyl-1,3-thiazinan-2-one (CID 90890028) is ethane;3-methyl-1,3-thiazinan-2-one.
What is the SMILES notation for ethane;3-methyl-1,3-thiazinan-2-one?
The canonical SMILES for ethane;3-methyl-1,3-thiazinan-2-one is CC.CN1CCCSC1=O.
What is the InChIKey of ethane;3-methyl-1,3-thiazinan-2-one?
The InChIKey is YBYLHIZIZKRRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS.C2H6/c1-6-3-2-4-8-5(6)7;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,3-thiazinan-2-one?
ethane;3-methyl-1,3-thiazinan-2-one has a molecular weight of 161.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3-thiazinan-2-one is sourced from PubChem (CID 90890028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).