4-[(3-methylphenyl)methyl]thiomorpholine

C12H17NS — CID 792738

IUPAC4-[(3-methylphenyl)methyl]thiomorpholine
SMILESCc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C12H17NS/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-4,9H,5-8,10H2,1H3
InChIKeyPGGZEZVGUUKGKB-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.54
Rot. Bonds2

About 4-[(3-methylphenyl)methyl]thiomorpholine

4-[(3-methylphenyl)methyl]thiomorpholine (PubChem CID 792738) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]thiomorpholine
PubChem CID792738
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name4-[(3-methylphenyl)methyl]thiomorpholine
SMILESCc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C12H17NS/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-4,9H,5-8,10H2,1H3
InChIKeyPGGZEZVGUUKGKB-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperidine
CID 76190
4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-(1-Naphthylmethyl)thiomorpholine
CID 791354
4-[3-(Trifluoromethyl)benzyl]thiomorpholine
CID 792495
4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
1-Benzyl-4-methylpiperidine
CID 3966943
4-Benzylthiomorpholine 1,1-Dioxide
CID 318454
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
4-(2,5-Dimethylbenzyl)thiomorpholine
CID 1377102
4-[4-(Methylthio)benzyl]thiomorpholine
CID 1377280

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3-methylphenyl)methyl]thiomorpholine (CID 792738) is 4-[(3-methylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3-methylphenyl)methyl]thiomorpholine is Cc1cccc(CN2CCSCC2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]thiomorpholine?
The InChIKey is PGGZEZVGUUKGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methyl]thiomorpholine?
4-[(3-methylphenyl)methyl]thiomorpholine has a molecular weight of 207.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 792738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).