5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane

C14H21NOS — CID 66224794

IUPAC5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane
SMILESCC1CNC(c2cccc(OC(C)C)c2)SC1
InChIInChI=1S/C14H21NOS/c1-10(2)16-13-6-4-5-12(7-13)14-15-8-11(3)9-17-14/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyPKYPKTFPAGKZHC-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.44
Rot. Bonds3

About 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane

5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane (PubChem CID 66224794) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane.

Molecular Properties

Compound Name5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane
PubChem CID66224794
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane
SMILESCC1CNC(c2cccc(OC(C)C)c2)SC1
InChIInChI=1S/C14H21NOS/c1-10(2)16-13-6-4-5-12(7-13)14-15-8-11(3)9-17-14/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyPKYPKTFPAGKZHC-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-naphthalen-2-yl-1,3-thiazinane
CID 66224808
4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine
CID 66230382
3-methyl-4-(3-propan-2-yloxyphenyl)piperidine
CID 79320306
5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117376080
2-(3-propan-2-yloxyphenyl)cyclopentan-1-ol
CID 2759478
2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
CID 114859868
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
CID 114488651
4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 114487125
2-(2-ethylphenyl)-5-methyl-1,3-thiazinane
CID 66225711
4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687395
5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine
CID 107105145

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane?
The IUPAC name of 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane (CID 66224794) is 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane.
What is the SMILES notation for 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane?
The canonical SMILES for 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane is CC1CNC(c2cccc(OC(C)C)c2)SC1.
What is the InChIKey of 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane?
The InChIKey is PKYPKTFPAGKZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(2)16-13-6-4-5-12(7-13)14-15-8-11(3)9-17-14/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane?
5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane has a molecular weight of 251.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane is sourced from PubChem (CID 66224794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).