N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine

C15H22N2OS — CID 97318047

IUPACN-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine
SMILESCC#CCN(C)C[C@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C15H22N2OS/c1-3-4-7-16(2)13-14(15-6-5-12-19-15)17-8-10-18-11-9-17/h5-6,12,14H,7-11,13H2,1-2H3/t14-/m1/s1
InChIKeyHIYJMSZURQBHGJ-CQSZACIVSA-N
MW278.42 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine

N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine (PubChem CID 97318047) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine
PubChem CID97318047
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine
SMILESCC#CCN(C)C[C@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C15H22N2OS/c1-3-4-7-16(2)13-14(15-6-5-12-19-15)17-8-10-18-11-9-17/h5-6,12,14H,7-11,13H2,1-2H3/t14-/m1/s1
InChIKeyHIYJMSZURQBHGJ-CQSZACIVSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine
CID 75422289
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 95767529
(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol
CID 99787684
(2S)-N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 97085403
N-[2-[methyl-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]ethyl]methanesulfonamide
CID 96998377
2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride
CID 120752871
1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880763
N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 119880751
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443347

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine?
The IUPAC name of N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine (CID 97318047) is N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine?
The canonical SMILES for N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine is CC#CCN(C)C[C@H](c1cccs1)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine?
The InChIKey is HIYJMSZURQBHGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-4-7-16(2)13-14(15-6-5-12-19-15)17-8-10-18-11-9-17/h5-6,12,14H,7-11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine?
N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine has a molecular weight of 278.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine is sourced from PubChem (CID 97318047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).