[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine

C13H25N3O3S — CID 63169895

IUPAC[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1(N2CCC(N3CCOCC3)C2)CCS(=O)(=O)C1
InChIInChI=1S/C13H25N3O3S/c14-10-13(2-8-20(17,18)11-13)16-3-1-12(9-16)15-4-6-19-7-5-15/h12H,1-11,14H2
InChIKeyDATOLJWESWRWGI-UHFFFAOYSA-N
MW303.43 g/mol
LogP-1.09
Rot. Bonds3

About [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine

[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 63169895) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
PubChem CID63169895
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1(N2CCC(N3CCOCC3)C2)CCS(=O)(=O)C1
InChIInChI=1S/C13H25N3O3S/c14-10-13(2-8-20(17,18)11-13)16-3-1-12(9-16)15-4-6-19-7-5-15/h12H,1-11,14H2
InChIKeyDATOLJWESWRWGI-UHFFFAOYSA-N
XLogP-1.09
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 79521433
[3-(3-tert-butylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 113417076
[3-(4-cyclopropylpiperazin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923838
[2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79834112
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)oxan-4-yl]methanamine
CID 55166748
[1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopropyl]methanamine
CID 106661223
[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
CID 64571099
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
CID 64568494
[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,1-dioxothian-3-yl]methanamine
CID 79940771
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclooctyl]methanamine
CID 79937680
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopropyl]methanamine
CID 106661320
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587

Frequently Asked Questions

What is the IUPAC name of [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine (CID 63169895) is [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine is NCC1(N2CCC(N3CCOCC3)C2)CCS(=O)(=O)C1.
What is the InChIKey of [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is DATOLJWESWRWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c14-10-13(2-8-20(17,18)11-13)16-3-1-12(9-16)15-4-6-19-7-5-15/h12H,1-11,14H2.
What are the key properties of [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 303.43 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 63169895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).