4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide

C19H24N2OS — CID 142648679

IUPAC4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide
SMILESCc1ccc(-c2cc(N3CCS(=O)CC3)cc(C(C)C)n2)cc1
InChIInChI=1S/C19H24N2OS/c1-14(2)18-12-17(21-8-10-23(22)11-9-21)13-19(20-18)16-6-4-15(3)5-7-16/h4-7,12-14H,8-11H2,1-3H3
InChIKeySROWMWKDPYULGN-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.75
Rot. Bonds3

About 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide

4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide (PubChem CID 142648679) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide
PubChem CID142648679
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide
SMILESCc1ccc(-c2cc(N3CCS(=O)CC3)cc(C(C)C)n2)cc1
InChIInChI=1S/C19H24N2OS/c1-14(2)18-12-17(21-8-10-23(22)11-9-21)13-19(20-18)16-6-4-15(3)5-7-16/h4-7,12-14H,8-11H2,1-3H3
InChIKeySROWMWKDPYULGN-UHFFFAOYSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide (CID 142648679) is 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide is Cc1ccc(-c2cc(N3CCS(=O)CC3)cc(C(C)C)n2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide?
The InChIKey is SROWMWKDPYULGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14(2)18-12-17(21-8-10-23(22)11-9-21)13-19(20-18)16-6-4-15(3)5-7-16/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide?
4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide has a molecular weight of 328.48 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 142648679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).