2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine

C9H17NS — CID 123581155

IUPAC2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine
SMILESCCCC(C)C1CN=CCS1
InChIInChI=1S/C9H17NS/c1-3-4-8(2)9-7-10-5-6-11-9/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyCPHVEQARFGICKP-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.61
Rot. Bonds3

About 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine

2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine (PubChem CID 123581155) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine
PubChem CID123581155
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine
SMILESCCCC(C)C1CN=CCS1
InChIInChI=1S/C9H17NS/c1-3-4-8(2)9-7-10-5-6-11-9/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyCPHVEQARFGICKP-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine?
The IUPAC name of 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine (CID 123581155) is 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine?
The canonical SMILES for 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine is CCCC(C)C1CN=CCS1.
What is the InChIKey of 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine?
The InChIKey is CPHVEQARFGICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-4-8(2)9-7-10-5-6-11-9/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine?
2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine has a molecular weight of 171.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-3,6-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 123581155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).