4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine

C11H13N3OS — CID 170020349

IUPAC4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESSn1ccc2cc(N3CCOCC3)cnc21
InChIInChI=1S/C11H13N3OS/c16-14-2-1-9-7-10(8-12-11(9)14)13-3-5-15-6-4-13/h1-2,7-8,16H,3-6H2
InChIKeyNTUMXGRHWQOIED-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.57
Rot. Bonds1

About 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine

4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine (PubChem CID 170020349) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine.

Molecular Properties

Compound Name4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine
PubChem CID170020349
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESSn1ccc2cc(N3CCOCC3)cnc21
InChIInChI=1S/C11H13N3OS/c16-14-2-1-9-7-10(8-12-11(9)14)13-3-5-15-6-4-13/h1-2,7-8,16H,3-6H2
InChIKeyNTUMXGRHWQOIED-UHFFFAOYSA-N
XLogP1.57
TPSA30.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-iodo-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 129162983
2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
1-[(4-chlorophenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311929
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
5-morpholin-4-ylpyridin-3-amine;dihydrochloride
CID 67312945
6-morpholin-4-ylquinolin-2-amine
CID 25139674
propan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 172576033
trimethyl-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]silane
CID 86259795
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
[1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine
CID 163404604
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085

Frequently Asked Questions

What is the IUPAC name of 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine?
The IUPAC name of 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine (CID 170020349) is 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine.
What is the SMILES notation for 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine?
The canonical SMILES for 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine is Sn1ccc2cc(N3CCOCC3)cnc21.
What is the InChIKey of 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine?
The InChIKey is NTUMXGRHWQOIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c16-14-2-1-9-7-10(8-12-11(9)14)13-3-5-15-6-4-13/h1-2,7-8,16H,3-6H2.
What are the key properties of 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine?
4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine has a molecular weight of 235.31 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine is sourced from PubChem (CID 170020349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).