2-pentyl-1,4-thiazinane 1-oxide

C9H19NOS — CID 174923223

IUPAC2-pentyl-1,4-thiazinane 1-oxide
SMILESCCCCCC1CNCCS1=O
InChIInChI=1S/C9H19NOS/c1-2-3-4-5-9-8-10-6-7-12(9)11/h9-10H,2-8H2,1H3
InChIKeySAPJERYBZFCUAT-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.29
Rot. Bonds4

About 2-pentyl-1,4-thiazinane 1-oxide

2-pentyl-1,4-thiazinane 1-oxide (PubChem CID 174923223) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-pentyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-pentyl-1,4-thiazinane 1-oxide
PubChem CID174923223
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-pentyl-1,4-thiazinane 1-oxide
SMILESCCCCCC1CNCCS1=O
InChIInChI=1S/C9H19NOS/c1-2-3-4-5-9-8-10-6-7-12(9)11/h9-10H,2-8H2,1H3
InChIKeySAPJERYBZFCUAT-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentyl-1,4-thiazinane 1-oxide?
The IUPAC name of 2-pentyl-1,4-thiazinane 1-oxide (CID 174923223) is 2-pentyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-pentyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-pentyl-1,4-thiazinane 1-oxide is CCCCCC1CNCCS1=O.
What is the InChIKey of 2-pentyl-1,4-thiazinane 1-oxide?
The InChIKey is SAPJERYBZFCUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-3-4-5-9-8-10-6-7-12(9)11/h9-10H,2-8H2,1H3.
What are the key properties of 2-pentyl-1,4-thiazinane 1-oxide?
2-pentyl-1,4-thiazinane 1-oxide has a molecular weight of 189.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 174923223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).