4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine

C14H21NS — CID 58970077

IUPAC4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine
SMILESCc1cc(N2CCSCC2)ccc1C(C)C
InChIInChI=1S/C14H21NS/c1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyAORSJKBJRXEJFS-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.67
Rot. Bonds2

About 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine

4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine (PubChem CID 58970077) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine
PubChem CID58970077
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine
SMILESCc1cc(N2CCSCC2)ccc1C(C)C
InChIInChI=1S/C14H21NS/c1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyAORSJKBJRXEJFS-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
CID 81278736
4-(3-methyl-4-nitrophenyl)thiomorpholine
CID 11514222
2-[1-(methylamino)ethyl]-5-(1,4-thiazepan-4-yl)phenol
CID 79603969
4-(2,6-dimethyl-4-pyridinyl)thiomorpholine
CID 143551760
N-methyl-1-[2-methyl-4-(1,4-thiazepan-4-yl)phenyl]methanamine
CID 62134711
2-propan-2-yloxy-4-(1,4-thiazepan-4-yl)aniline
CID 83002240
(1S)-1-(2-methyl-4-pyrrolidin-1-ylphenyl)ethane-1,2-diamine
CID 66517550
1-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 167149955
(1S)-1-(2-methyl-4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 66518007
(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
CID 66514395
2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
CID 49365274
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine?
The IUPAC name of 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine (CID 58970077) is 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine.
What is the SMILES notation for 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine?
The canonical SMILES for 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine is Cc1cc(N2CCSCC2)ccc1C(C)C.
What is the InChIKey of 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine?
The InChIKey is AORSJKBJRXEJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine?
4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine has a molecular weight of 235.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-propan-2-ylphenyl)thiomorpholine is sourced from PubChem (CID 58970077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).