N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine

C11H22N2S — CID 106444942

IUPACN-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine
SMILESC=CCCC(NC)C1CSCCN1C
InChIInChI=1S/C11H22N2S/c1-4-5-6-10(12-2)11-9-14-8-7-13(11)3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyCOWKRHFPSGDZGI-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds5

About N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine

N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine (PubChem CID 106444942) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine
PubChem CID106444942
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine
SMILESC=CCCC(NC)C1CSCCN1C
InChIInChI=1S/C11H22N2S/c1-4-5-6-10(12-2)11-9-14-8-7-13(11)3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyCOWKRHFPSGDZGI-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

1-(2-Ethyl-2,3-dihydrothiophen-4-yl)piperazine
CID 57130705
2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
1-[3-(2,3-Dihydrothiophen-2-yl)propyl]piperazine
CID 163907024
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
N-ethyl-1-methylsulfanylhept-6-en-2-amine
CID 64299587
1-methylsulfanyl-N-propylhept-6-en-2-amine
CID 64299589
1-ethylsulfanyl-N-propylhept-6-en-2-amine
CID 65127603
N-ethyl-1-ethylsulfanylhept-6-en-2-amine
CID 65127777
1-ethylsulfanyl-N-methylhept-6-en-2-amine
CID 65128141
N-ethyl-1-propylsulfanylhept-6-en-2-amine
CID 65129035
N-propyl-1-propylsulfanylhept-6-en-2-amine
CID 65129045
N-methyl-1-propylsulfanylhept-6-en-2-amine
CID 65129197

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine?
The IUPAC name of N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine (CID 106444942) is N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine is C=CCCC(NC)C1CSCCN1C.
What is the InChIKey of N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine?
The InChIKey is COWKRHFPSGDZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-4-5-6-10(12-2)11-9-14-8-7-13(11)3/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine?
N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 106444942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).