1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide

C15H23NOS — CID 158612110

IUPAC1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide
SMILESC=S1(=O)CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C15H23NOS/c1-13(2)15-6-4-14(5-7-15)12-16-8-10-18(3,17)11-9-16/h4-7,13H,3,8-12H2,1-2H3
InChIKeyDJBYMVZPTMMECS-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.34
Rot. Bonds3

About 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide

1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide (PubChem CID 158612110) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide
PubChem CID158612110
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide
SMILESC=S1(=O)CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C15H23NOS/c1-13(2)15-6-4-14(5-7-15)12-16-8-10-18(3,17)11-9-16/h4-7,13H,3,8-12H2,1-2H3
InChIKeyDJBYMVZPTMMECS-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 105345698
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide
CID 82134036
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60676643
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140
1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine
CID 134243219
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 171072925
2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43252940
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide (CID 158612110) is 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide is C=S1(=O)CCN(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide?
The InChIKey is DJBYMVZPTMMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-13(2)15-6-4-14(5-7-15)12-16-8-10-18(3,17)11-9-16/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide?
1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide has a molecular weight of 265.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 158612110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).