2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine

C11H21NS — CID 134213127

IUPAC2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine
SMILESC=C(CC(C)C)N1CCSC(C)C1
InChIInChI=1S/C11H21NS/c1-9(2)7-10(3)12-5-6-13-11(4)8-12/h9,11H,3,5-8H2,1-2,4H3
InChIKeyUSNAKAOPSPSNLY-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.98
Rot. Bonds3

About 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine

2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine (PubChem CID 134213127) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine
PubChem CID134213127
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine
SMILESC=C(CC(C)C)N1CCSC(C)C1
InChIInChI=1S/C11H21NS/c1-9(2)7-10(3)12-5-6-13-11(4)8-12/h9,11H,3,5-8H2,1-2,4H3
InChIKeyUSNAKAOPSPSNLY-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine?
The IUPAC name of 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine (CID 134213127) is 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine.
What is the SMILES notation for 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine?
The canonical SMILES for 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine is C=C(CC(C)C)N1CCSC(C)C1.
What is the InChIKey of 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine?
The InChIKey is USNAKAOPSPSNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)7-10(3)12-5-6-13-11(4)8-12/h9,11H,3,5-8H2,1-2,4H3.
What are the key properties of 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine?
2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine has a molecular weight of 199.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine is sourced from PubChem (CID 134213127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).