N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine

C14H21N5OS — CID 97254354

IUPACN,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@@H]1CN(Cc2nc(-c3cccs3)n[nH]2)CCO1
InChIInChI=1S/C14H21N5OS/c1-18(2)8-11-9-19(5-6-20-11)10-13-15-14(17-16-13)12-4-3-7-21-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyAFNVOARLSLLEIM-LLVKDONJSA-N
MW307.42 g/mol
LogP1.30
Rot. Bonds5

About N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine

N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 97254354) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine
PubChem CID97254354
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@@H]1CN(Cc2nc(-c3cccs3)n[nH]2)CCO1
InChIInChI=1S/C14H21N5OS/c1-18(2)8-11-9-19(5-6-20-11)10-13-15-14(17-16-13)12-4-3-7-21-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyAFNVOARLSLLEIM-LLVKDONJSA-N
XLogP1.30
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 65155343
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 129428107
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-[(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95611811
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 94530936
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95349360
3-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-1H-1,2,4-triazole
CID 55222065

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine (CID 97254354) is N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine is CN(C)C[C@@H]1CN(Cc2nc(-c3cccs3)n[nH]2)CCO1.
What is the InChIKey of N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is AFNVOARLSLLEIM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-18(2)8-11-9-19(5-6-20-11)10-13-15-14(17-16-13)12-4-3-7-21-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine?
N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 307.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 97254354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).