(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine

C18H28N4OS — CID 95767303

IUPAC(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCC(C)n1cc(CNC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cn1
InChIInChI=1S/C18H28N4OS/c1-14(2)22-13-16(10-20-22)9-19-11-17(18-5-4-8-24-18)21-6-7-23-15(3)12-21/h4-5,8,10,13-15,17,19H,6-7,9,11-12H2,1-3H3/t15-,17+/m1/s1
InChIKeySVFCPNBLJYPATK-WBVHZDCISA-N
MW348.52 g/mol
LogP3.08
Rot. Bonds7

About (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine

(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 95767303) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID95767303
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCC(C)n1cc(CNC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cn1
InChIInChI=1S/C18H28N4OS/c1-14(2)22-13-16(10-20-22)9-19-11-17(18-5-4-8-24-18)21-6-7-23-15(3)12-21/h4-5,8,10,13-15,17,19H,6-7,9,11-12H2,1-3H3/t15-,17+/m1/s1
InChIKeySVFCPNBLJYPATK-WBVHZDCISA-N
XLogP3.08
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-(2-methylmorpholin-4-yl)-N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 119155808
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 95774005
N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile
CID 98768142
6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
CID 122132155
4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 95773118
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86934746
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111966191
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
CID 97058927
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
[5-chloro-6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294989

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine (CID 95767303) is (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine is CC(C)n1cc(CNC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cn1.
What is the InChIKey of (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is SVFCPNBLJYPATK-WBVHZDCISA-N. The full InChI is InChI=1S/C18H28N4OS/c1-14(2)22-13-16(10-20-22)9-19-11-17(18-5-4-8-24-18)21-6-7-23-15(3)12-21/h4-5,8,10,13-15,17,19H,6-7,9,11-12H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 348.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 95767303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).