2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine

C11H21NS — CID 130666989

IUPAC2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine
SMILESCC1CN(CC2(C)CCC2)CCS1
InChIInChI=1S/C11H21NS/c1-10-8-12(6-7-13-10)9-11(2)4-3-5-11/h10H,3-9H2,1-2H3
InChIKeyTXTXIULZWJJVQZ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.61
Rot. Bonds2

About 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine

2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine (PubChem CID 130666989) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine.

Molecular Properties

Compound Name2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine
PubChem CID130666989
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine
SMILESCC1CN(CC2(C)CCC2)CCS1
InChIInChI=1S/C11H21NS/c1-10-8-12(6-7-13-10)9-11(2)4-3-5-11/h10H,3-9H2,1-2H3
InChIKeyTXTXIULZWJJVQZ-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylpentyl)thiomorpholine
CID 134994483
4-(4,4-Dimethylpentyl)thiomorpholine
CID 21030124
1-(2-Tert-butylsulfanylethyl)piperidine
CID 22960496
CID 58171955
CID 58171955
4-(4-Methylpentyl)thiomorpholine
CID 58958244
4-(5,5-Dimethylhexyl)thiomorpholine
CID 58974868
4-(5-Methylhexyl)thiomorpholine
CID 59001008
4-(3,3-Dimethylbutyl)thiomorpholine
CID 59829127
1-(2-Ethylsulfanylethyl)-3-methylpiperidine
CID 60061025
4-(6,6-Dimethylheptyl)thiomorpholine
CID 68070185
4-(2,4,4-Trimethylpentan-2-yl)thiomorpholine
CID 91470438
9-Methyl-2-thia-9-azaspiro[5.5]undecane
CID 96626386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine?
The IUPAC name of 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine (CID 130666989) is 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine.
What is the SMILES notation for 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine?
The canonical SMILES for 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine is CC1CN(CC2(C)CCC2)CCS1.
What is the InChIKey of 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine?
The InChIKey is TXTXIULZWJJVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10-8-12(6-7-13-10)9-11(2)4-3-5-11/h10H,3-9H2,1-2H3.
What are the key properties of 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine?
2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine has a molecular weight of 199.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine is sourced from PubChem (CID 130666989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).