4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine

C15H25NOS — CID 139786823

IUPAC4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine
SMILESCSC1(CC(C)(C)N2CCOCC2)C=CC=CC1
InChIInChI=1S/C15H25NOS/c1-14(2,16-9-11-17-12-10-16)13-15(18-3)7-5-4-6-8-15/h4-7H,8-13H2,1-3H3
InChIKeyQSGVZWODBBVIAD-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.11
Rot. Bonds4

About 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine

4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine (PubChem CID 139786823) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine
PubChem CID139786823
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine
SMILESCSC1(CC(C)(C)N2CCOCC2)C=CC=CC1
InChIInChI=1S/C15H25NOS/c1-14(2,16-9-11-17-12-10-16)13-15(18-3)7-5-4-6-8-15/h4-7H,8-13H2,1-3H3
InChIKeyQSGVZWODBBVIAD-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one
CID 139785064
4-(1-Methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine
CID 141146962
4-(1-Butylcyclohexa-2,4-dien-1-yl)morpholine
CID 141516371
4-[[(5R)-5-methylsulfanylcyclohexa-1,3-dien-1-yl]methyl]morpholine
CID 156227050
4-(4-Ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine
CID 177018374
4-[3-(2,5-Dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine
CID 170871146

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine (CID 139786823) is 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine is CSC1(CC(C)(C)N2CCOCC2)C=CC=CC1.
What is the InChIKey of 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine?
The InChIKey is QSGVZWODBBVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-14(2,16-9-11-17-12-10-16)13-15(18-3)7-5-4-6-8-15/h4-7H,8-13H2,1-3H3.
What are the key properties of 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine?
4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine has a molecular weight of 267.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine is sourced from PubChem (CID 139786823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).