2-(3-methylsulfanylpropyl)-1,3-thiazinane

C8H17NS2 — CID 103090316

IUPAC2-(3-methylsulfanylpropyl)-1,3-thiazinane
SMILESCSCCCC1NCCCS1
InChIInChI=1S/C8H17NS2/c1-10-6-2-4-8-9-5-3-7-11-8/h8-9H,2-7H2,1H3
InChIKeyZWWIUQXKNORCPX-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-methylsulfanylpropyl)-1,3-thiazinane

2-(3-methylsulfanylpropyl)-1,3-thiazinane (PubChem CID 103090316) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 2-(3-methylsulfanylpropyl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(3-methylsulfanylpropyl)-1,3-thiazinane
PubChem CID103090316
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name2-(3-methylsulfanylpropyl)-1,3-thiazinane
SMILESCSCCCC1NCCCS1
InChIInChI=1S/C8H17NS2/c1-10-6-2-4-8-9-5-3-7-11-8/h8-9H,2-7H2,1H3
InChIKeyZWWIUQXKNORCPX-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpropyl)-1,3-thiazinane?
The IUPAC name of 2-(3-methylsulfanylpropyl)-1,3-thiazinane (CID 103090316) is 2-(3-methylsulfanylpropyl)-1,3-thiazinane.
What is the SMILES notation for 2-(3-methylsulfanylpropyl)-1,3-thiazinane?
The canonical SMILES for 2-(3-methylsulfanylpropyl)-1,3-thiazinane is CSCCCC1NCCCS1.
What is the InChIKey of 2-(3-methylsulfanylpropyl)-1,3-thiazinane?
The InChIKey is ZWWIUQXKNORCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-10-6-2-4-8-9-5-3-7-11-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-(3-methylsulfanylpropyl)-1,3-thiazinane?
2-(3-methylsulfanylpropyl)-1,3-thiazinane has a molecular weight of 191.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpropyl)-1,3-thiazinane is sourced from PubChem (CID 103090316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).