4-methyl-2-(2-phenylpropyl)-1,3-thiazinane

C14H21NS — CID 66234677

IUPAC4-methyl-2-(2-phenylpropyl)-1,3-thiazinane
SMILESCC1CCSC(CC(C)c2ccccc2)N1
InChIInChI=1S/C14H21NS/c1-11(13-6-4-3-5-7-13)10-14-15-12(2)8-9-16-14/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyHJODMJLLGCIWCT-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.62
Rot. Bonds3

About 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane

4-methyl-2-(2-phenylpropyl)-1,3-thiazinane (PubChem CID 66234677) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane.

Molecular Properties

Compound Name4-methyl-2-(2-phenylpropyl)-1,3-thiazinane
PubChem CID66234677
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name4-methyl-2-(2-phenylpropyl)-1,3-thiazinane
SMILESCC1CCSC(CC(C)c2ccccc2)N1
InChIInChI=1S/C14H21NS/c1-11(13-6-4-3-5-7-13)10-14-15-12(2)8-9-16-14/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyHJODMJLLGCIWCT-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate
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(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
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3-benzyl-5-methyl-2-phenyl-1,4-thiazepane
CID 66233752
(2R)-2-[(2R)-2-phenylpropyl]imidazolidin-4-one
CID 129386210
6-methyl-N-(2-phenylpropyl)piperidine-2-carboxamide
CID 104591608
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
CID 136948902
2-methyl-N-(3-phenylbutyl)thian-3-amine
CID 79956785
2-(2-bromophenyl)-4-methyl-1,3-thiazinane
CID 66233102
2-(2-phenylpropyl)oxolane-3-carboxylic acid
CID 79368306
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane?
The IUPAC name of 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane (CID 66234677) is 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane.
What is the SMILES notation for 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane?
The canonical SMILES for 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane is CC1CCSC(CC(C)c2ccccc2)N1.
What is the InChIKey of 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane?
The InChIKey is HJODMJLLGCIWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(13-6-4-3-5-7-13)10-14-15-12(2)8-9-16-14/h3-7,11-12,14-15H,8-10H2,1-2H3.
What are the key properties of 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane?
4-methyl-2-(2-phenylpropyl)-1,3-thiazinane has a molecular weight of 235.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylpropyl)-1,3-thiazinane is sourced from PubChem (CID 66234677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).