3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine

C14H21NS — CID 174983571

IUPAC3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine
SMILESCC1CSCC(c2ccccc2C(C)C)N1
InChIInChI=1S/C14H21NS/c1-10(2)12-6-4-5-7-13(12)14-9-16-8-11(3)15-14/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyDXSVLNYPVRUZQQ-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.58
Rot. Bonds2

About 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine

3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine (PubChem CID 174983571) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine.

Molecular Properties

Compound Name3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine
PubChem CID174983571
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine
SMILESCC1CSCC(c2ccccc2C(C)C)N1
InChIInChI=1S/C14H21NS/c1-10(2)12-6-4-5-7-13(12)14-9-16-8-11(3)15-14/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyDXSVLNYPVRUZQQ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylthiomorpholine
CID 5004199
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
CID 14027805
4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(2,5-Dimethylbenzyl)thiomorpholine
CID 1377102
1-Isopropyl-1,2,3,4-tetrahydroisoquinoline
CID 583452
rac-(2R,6R)-2-methyl-6-phenylpiperidine
CID 10773596
N-Ethyl-6,6a,7,8,9,10-hexahydro-10aH-dibenzo[b,d]thiopyran-10a-amine
CID 19107100
4-(2,4-Dimethylbenzyl)thiomorpholine
CID 791294
1-Isobutyl-1,2,3,4-tetrahydro-isoquinoline
CID 13049800
1-Cyclohexyl-1,2,3,4-tetrahydro-isoquinoline
CID 583453
1-Butyl-1,2,3,4-tetrahydroisoquinoline
CID 583458
2H-1,3-Thiazine, tetrahydro-2-phenyl-
CID 97990

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine?
The IUPAC name of 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine (CID 174983571) is 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine.
What is the SMILES notation for 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine?
The canonical SMILES for 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine is CC1CSCC(c2ccccc2C(C)C)N1.
What is the InChIKey of 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine?
The InChIKey is DXSVLNYPVRUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10(2)12-6-4-5-7-13(12)14-9-16-8-11(3)15-14/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine?
3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine has a molecular weight of 235.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine is sourced from PubChem (CID 174983571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).