4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride

C18H24ClNO2S — CID 3055301

IUPAC4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride
SMILESCOc1ccc2cc(C(C)CN3CCS(=O)CC3)ccc2c1.Cl
InChIInChI=1S/C18H23NO2S.ClH/c1-14(13-19-7-9-22(20)10-8-19)15-3-4-17-12-18(21-2)6-5-16(17)11-15;/h3-6,11-12,14H,7-10,13H2,1-2H3;1H
InChIKeyGLVHXAVRCMSLIL-UHFFFAOYSA-N
MW353.92 g/mol
LogP3.44
Rot. Bonds4

About 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride

4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 3055301) has the molecular formula C18H24ClNO2S and a molecular weight of 353.92 g/mol. Its IUPAC name is 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID3055301
Molecular FormulaC18H24ClNO2S
Molecular Weight353.92 g/mol
Exact Mass353.12
IUPAC Name4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride
SMILESCOc1ccc2cc(C(C)CN3CCS(=O)CC3)ccc2c1.Cl
InChIInChI=1S/C18H23NO2S.ClH/c1-14(13-19-7-9-22(20)10-8-19)15-3-4-17-12-18(21-2)6-5-16(17)11-15;/h3-6,11-12,14H,7-10,13H2,1-2H3;1H
InChIKeyGLVHXAVRCMSLIL-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride (CID 3055301) is 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride is COc1ccc2cc(C(C)CN3CCS(=O)CC3)ccc2c1.Cl.
What is the InChIKey of 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is GLVHXAVRCMSLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S.ClH/c1-14(13-19-7-9-22(20)10-8-19)15-3-4-17-12-18(21-2)6-5-16(17)11-15;/h3-6,11-12,14H,7-10,13H2,1-2H3;1H.
What are the key properties of 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride?
4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 3055301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).