(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine

C15H21N3OS — CID 97151832

IUPAC(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine
SMILESCc1ccc(CN2CCO[C@](C)(c3cnn(C)c3)C2)s1
InChIInChI=1S/C15H21N3OS/c1-12-4-5-14(20-12)10-18-6-7-19-15(2,11-18)13-8-16-17(3)9-13/h4-5,8-9H,6-7,10-11H2,1-3H3/t15-/m0/s1
InChIKeyATUNBTGEBFEVCI-HNNXBMFYSA-N
MW291.42 g/mol
LogP2.54
Rot. Bonds3

About (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine

(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine (PubChem CID 97151832) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine
PubChem CID97151832
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine
SMILESCc1ccc(CN2CCO[C@](C)(c3cnn(C)c3)C2)s1
InChIInChI=1S/C15H21N3OS/c1-12-4-5-14(20-12)10-18-6-7-19-15(2,11-18)13-8-16-17(3)9-13/h4-5,8-9H,6-7,10-11H2,1-3H3/t15-/m0/s1
InChIKeyATUNBTGEBFEVCI-HNNXBMFYSA-N
XLogP2.54
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 97151843
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine
CID 97226347
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120982966
6-methyl-9-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one
CID 131649133
4-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133364977
2-methyl-2-(1-methylpyrazol-4-yl)-4-(6-methyl-2-pyridinyl)morpholine
CID 75509895
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
CID 97074651
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 127470253
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 127470255
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
(6S)-4-[(5-methylthiophen-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495057
1-[(6R)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine?
The IUPAC name of (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine (CID 97151832) is (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine is Cc1ccc(CN2CCO[C@](C)(c3cnn(C)c3)C2)s1.
What is the InChIKey of (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine?
The InChIKey is ATUNBTGEBFEVCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12-4-5-14(20-12)10-18-6-7-19-15(2,11-18)13-8-16-17(3)9-13/h4-5,8-9H,6-7,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine?
(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine has a molecular weight of 291.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 97151832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).