N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine

C11H22N2S — CID 106444818

IUPACN,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
SMILESCNC(C=C(C)C)C1CSCCN1C
InChIInChI=1S/C11H22N2S/c1-9(2)7-10(12-3)11-8-14-6-5-13(11)4/h7,10-12H,5-6,8H2,1-4H3
InChIKeyFTVLXXIBOGQCBL-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds3

About N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine

N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine (PubChem CID 106444818) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
PubChem CID106444818
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
SMILESCNC(C=C(C)C)C1CSCCN1C
InChIInChI=1S/C11H22N2S/c1-9(2)7-10(12-3)11-8-14-6-5-13(11)4/h7,10-12H,5-6,8H2,1-4H3
InChIKeyFTVLXXIBOGQCBL-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine (CID 106444818) is N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine is CNC(C=C(C)C)C1CSCCN1C.
What is the InChIKey of N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The InChIKey is FTVLXXIBOGQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(2)7-10(12-3)11-8-14-6-5-13(11)4/h7,10-12H,5-6,8H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine is sourced from PubChem (CID 106444818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).