2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine

C11H21NS — CID 130747110

IUPAC2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine
SMILESC=C(CC)CN1CCSC(C)C1C
InChIInChI=1S/C11H21NS/c1-5-9(2)8-12-6-7-13-11(4)10(12)3/h10-11H,2,5-8H2,1,3-4H3
InChIKeyJTRQUEUTBRPMBV-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.78
Rot. Bonds3

About 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine

2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine (PubChem CID 130747110) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine
PubChem CID130747110
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine
SMILESC=C(CC)CN1CCSC(C)C1C
InChIInChI=1S/C11H21NS/c1-5-9(2)8-12-6-7-13-11(4)10(12)3/h10-11H,2,5-8H2,1,3-4H3
InChIKeyJTRQUEUTBRPMBV-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-4-(2-methylidenebutyl)thiomorpholine
CID 130612248
2,2-Dimethyl-4-(3-methylbut-3-en-1-yl)thiomorpholine
CID 130735417
(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 89053219
(3S)-N,N-diethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 89468195
(3S)-N-ethyl-N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 122546475
3-(2,3-Dimethylbut-3-enyl)-4-methyl-1,3-thiazinane
CID 123516968
4-(3-Methylbut-3-enyl)thiomorpholine
CID 130611988
N-ethyl-N-methyl-4-(2-methylidenepentylsulfanyl)butan-2-amine
CID 155158058
4-Methyl-2-prop-1-en-2-ylthiomorpholine
CID 155383433
N,3-dimethyl-N-(2-methylpropyl)-1-methylsulfanylbut-3-en-2-amine
CID 169607628
5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 170635423
(2Z)-2-butan-2-ylidene-3-propan-2-yl-1,3-thiazinane
CID 173710676

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine?
The IUPAC name of 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine (CID 130747110) is 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine is C=C(CC)CN1CCSC(C)C1C.
What is the InChIKey of 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine?
The InChIKey is JTRQUEUTBRPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-5-9(2)8-12-6-7-13-11(4)10(12)3/h10-11H,2,5-8H2,1,3-4H3.
What are the key properties of 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine?
2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine has a molecular weight of 199.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(2-methylidenebutyl)thiomorpholine is sourced from PubChem (CID 130747110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).