(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone

C15H28N4O2S — CID 135200089

IUPAC(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
SMILESCC(S)N1CCN(C(=O)N2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C15H28N4O2S/c1-13(22)16-4-6-18(7-5-16)15(20)19-3-2-14(12-19)17-8-10-21-11-9-17/h13-14,22H,2-12H2,1H3
InChIKeyFGWUPVDXQAFGBI-UHFFFAOYSA-N
MW328.48 g/mol
LogP0.41
Rot. Bonds2

About (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone

(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone (PubChem CID 135200089) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
PubChem CID135200089
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
SMILESCC(S)N1CCN(C(=O)N2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C15H28N4O2S/c1-13(22)16-4-6-18(7-5-16)15(20)19-3-2-14(12-19)17-8-10-21-11-9-17/h13-14,22H,2-12H2,1H3
InChIKeyFGWUPVDXQAFGBI-UHFFFAOYSA-N
XLogP0.41
TPSA39.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 50.41
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

1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63550050
3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
CID 63516487
(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103929897
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 79193090
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
(2R)-2-amino-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 129371509
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
2-(3-morpholin-4-ylpyrrolidin-1-yl)propanamide
CID 63171230
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
N-[(E)-1-(4-morpholin-4-ylpiperidin-1-yl)prop-1-enyl]acetamide
CID 142187269

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone (CID 135200089) is (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone is CC(S)N1CCN(C(=O)N2CCC(N3CCOCC3)C2)CC1.
What is the InChIKey of (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone?
The InChIKey is FGWUPVDXQAFGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-13(22)16-4-6-18(7-5-16)15(20)19-3-2-14(12-19)17-8-10-21-11-9-17/h13-14,22H,2-12H2,1H3.
What are the key properties of (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone?
(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone has a molecular weight of 328.48 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 135200089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).