[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone

C17H20N2O3S — CID 126822406

IUPAC[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone
SMILESO=C(c1nccc2ccsc12)N1CCOC(COCC2CC2)C1
InChIInChI=1S/C17H20N2O3S/c20-17(15-16-13(3-5-18-15)4-8-23-16)19-6-7-22-14(9-19)11-21-10-12-1-2-12/h3-5,8,12,14H,1-2,6-7,9-11H2
InChIKeyIXYMLPCWIZHPAZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.56
Rot. Bonds5

About [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone

[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone (PubChem CID 126822406) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone.

Molecular Properties

Compound Name[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone
PubChem CID126822406
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone
SMILESO=C(c1nccc2ccsc12)N1CCOC(COCC2CC2)C1
InChIInChI=1S/C17H20N2O3S/c20-17(15-16-13(3-5-18-15)4-8-23-16)19-6-7-22-14(9-19)11-21-10-12-1-2-12/h3-5,8,12,14H,1-2,6-7,9-11H2
InChIKeyIXYMLPCWIZHPAZ-UHFFFAOYSA-N
XLogP2.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone
CID 100674768
1-[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 138035087
5-[2-(cyclopropylmethoxymethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127935355
(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 107519186
2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
isoquinolin-1-yl-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124957778
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3559114
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
1,3-benzothiazol-6-yl-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]methanone
CID 4679305

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone?
The IUPAC name of [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone (CID 126822406) is [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone.
What is the SMILES notation for [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone?
The canonical SMILES for [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone is O=C(c1nccc2ccsc12)N1CCOC(COCC2CC2)C1.
What is the InChIKey of [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone?
The InChIKey is IXYMLPCWIZHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(15-16-13(3-5-18-15)4-8-23-16)19-6-7-22-14(9-19)11-21-10-12-1-2-12/h3-5,8,12,14H,1-2,6-7,9-11H2.
What are the key properties of [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone?
[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone has a molecular weight of 332.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone is sourced from PubChem (CID 126822406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).