4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine

C12H19N3OS — CID 148920660

IUPAC4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine
SMILESc1cc(N2CCOCC2)c(N2CCSCC2)[nH]1
InChIInChI=1S/C12H19N3OS/c1-2-13-12(15-5-9-17-10-6-15)11(1)14-3-7-16-8-4-14/h1-2,13H,3-10H2
InChIKeyNDKUQGZBTRELJP-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.40
Rot. Bonds2

About 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine

4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine (PubChem CID 148920660) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine.

Molecular Properties

Compound Name4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine
PubChem CID148920660
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine
SMILESc1cc(N2CCOCC2)c(N2CCSCC2)[nH]1
InChIInChI=1S/C12H19N3OS/c1-2-13-12(15-5-9-17-10-6-15)11(1)14-3-7-16-8-4-14/h1-2,13H,3-10H2
InChIKeyNDKUQGZBTRELJP-UHFFFAOYSA-N
XLogP1.40
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
4-(1,4-oxazepan-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 87799217
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 45278194
4-(5-morpholin-4-ylthiophen-2-yl)morpholine
CID 121007846
5-morpholin-4-yl-3H-1,3-thiazole-2-thione
CID 141425201
4-(3-fluoro-4-pyridinyl)morpholine
CID 91005494
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321
7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321740
4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 110189391
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine?
The IUPAC name of 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine (CID 148920660) is 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine.
What is the SMILES notation for 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine?
The canonical SMILES for 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine is c1cc(N2CCOCC2)c(N2CCSCC2)[nH]1.
What is the InChIKey of 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine?
The InChIKey is NDKUQGZBTRELJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-13-12(15-5-9-17-10-6-15)11(1)14-3-7-16-8-4-14/h1-2,13H,3-10H2.
What are the key properties of 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine?
4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine has a molecular weight of 253.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine is sourced from PubChem (CID 148920660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).