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

C11H22N2S — CID 106444952

IUPACN,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine
SMILESC=C(C)CC(NC)C1CSCCN1C
InChIInChI=1S/C11H22N2S/c1-9(2)7-10(12-3)11-8-14-6-5-13(11)4/h10-12H,1,5-8H2,2-4H3
InChIKeyXXMLBPKFRIEAPC-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds4

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

N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine (PubChem CID 106444952) 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-3-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine
PubChem CID106444952
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine
SMILESC=C(C)CC(NC)C1CSCCN1C
InChIInChI=1S/C11H22N2S/c1-9(2)7-10(12-3)11-8-14-6-5-13(11)4/h10-12H,1,5-8H2,2-4H3
InChIKeyXXMLBPKFRIEAPC-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Ethyl-2,3-dihydrothiophen-4-yl)piperazine
CID 57130705
(2S)-3-methylidene-2-(2-methylsulfanylethyl)piperidine
CID 89180058
3-[2-[4-(3-Methylbut-1-en-2-yl)piperidin-1-yl]ethylsulfanyl]but-3-en-2-amine
CID 169885462
1-cyclohexylsulfanyl-4-methylidene-N-propylhexan-2-amine
CID 66036862
N-ethyl-4-methylidene-1-methylsulfanylhexan-2-amine
CID 66038516
4-methylidene-1-methylsulfanyl-N-propylhexan-2-amine
CID 66038517
1-ethylsulfanyl-N-methyl-4-methylidenehexan-2-amine
CID 66038764
N-ethyl-1-ethylsulfanyl-4-methylidenehexan-2-amine
CID 66038765
1-ethylsulfanyl-4-methylidene-N-propylhexan-2-amine
CID 66038999
N-methyl-4-methylidene-1-propylsulfanylhexan-2-amine
CID 66039001
N-ethyl-4-methylidene-1-propylsulfanylhexan-2-amine
CID 66039002
4-methylidene-N-propyl-1-propylsulfanylhexan-2-amine
CID 66039240

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine (CID 106444952) is N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine is C=C(C)CC(NC)C1CSCCN1C.
What is the InChIKey of N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine?
The InChIKey is XXMLBPKFRIEAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(2)7-10(12-3)11-8-14-6-5-13(11)4/h10-12H,1,5-8H2,2-4H3.
What are the key properties of N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine?
N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 4 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-3-en-1-amine is sourced from PubChem (CID 106444952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).