1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine

C10H18N2S — CID 103595850

IUPAC1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)C1CSCCN1C
InChIInChI=1S/C10H18N2S/c1-3-4-5-9(11)10-8-13-7-6-12(10)2/h9-10H,5-8,11H2,1-2H3
InChIKeySYNAFXMGHNQZEH-UHFFFAOYSA-N
MW198.33 g/mol
LogP0.77
Rot. Bonds2

About 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine

1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine (PubChem CID 103595850) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine
PubChem CID103595850
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)C1CSCCN1C
InChIInChI=1S/C10H18N2S/c1-3-4-5-9(11)10-8-13-7-6-12(10)2/h9-10H,5-8,11H2,1-2H3
InChIKeySYNAFXMGHNQZEH-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595877
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106444379
1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine
CID 106446396
1-(1,4-oxathian-2-yl)pent-3-yn-1-amine
CID 79963123
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 106444474
2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 107309197
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444601
[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]hydrazine
CID 106446561
[3-methyl-1-(4-methylthiomorpholin-3-yl)pentyl]hydrazine
CID 106446448
1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-one
CID 103595307

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine (CID 103595850) is 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine is CC#CCC(N)C1CSCCN1C.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine?
The InChIKey is SYNAFXMGHNQZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-4-5-9(11)10-8-13-7-6-12(10)2/h9-10H,5-8,11H2,1-2H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine?
1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine has a molecular weight of 198.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine is sourced from PubChem (CID 103595850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).