4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride

C20H34ClNS — CID 3053270

IUPAC4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)SC(C)C1.Cl
InChIInChI=1S/C20H33NS.ClH/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6;/h7-10,15-17H,11-14H2,1-6H3;1H
InChIKeyBCGINAKQYPVBSC-UHFFFAOYSA-N
MW356.02 g/mol
LogP5.41
Rot. Bonds4

About 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride

4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride (PubChem CID 3053270) has the molecular formula C20H34ClNS and a molecular weight of 356.02 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride
PubChem CID3053270
Molecular FormulaC20H34ClNS
Molecular Weight356.02 g/mol
Exact Mass355.21
IUPAC Name4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)SC(C)C1.Cl
InChIInChI=1S/C20H33NS.ClH/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6;/h7-10,15-17H,11-14H2,1-6H3;1H
InChIKeyBCGINAKQYPVBSC-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.02
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fenpropidin
CID 91694
4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
4-(4-Biphenylylmethyl)thiomorpholine
CID 792663
Piperidine, 3,5-dimethyl-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-
CID 3051197
3-(4-Methylphenyl)-1-propylpiperidine;hydrochloride
CID 45260158
1-[3-(4-Tert-butylphenyl)propyl]piperidine
CID 137648624
1-[3-(4-Tert-butylphenyl)propyl]-4-methylpiperidine
CID 137658890
Piperidine, 1-(2-((diphenylmethyl)thio)ethyl)-
CID 202023
Piperidine, 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-4-ethyl-
CID 3051198
Piperidine, 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3-ethyl-
CID 3051199
1-{3-[4-(Tert-butyl)phenyl]-2-methylpropyl}-3-methylpiperidine
CID 487663

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride?
The IUPAC name of 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride (CID 3053270) is 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride.
What is the SMILES notation for 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride?
The canonical SMILES for 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride is CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)SC(C)C1.Cl.
What is the InChIKey of 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride?
The InChIKey is BCGINAKQYPVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NS.ClH/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6;/h7-10,15-17H,11-14H2,1-6H3;1H.
What are the key properties of 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride?
4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride has a molecular weight of 356.02 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine;hydrochloride is sourced from PubChem (CID 3053270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).