5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine

C13H20N4O3S — CID 63174663

IUPAC5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESNc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)C2)cn1
InChIInChI=1S/C13H20N4O3S/c14-13-2-1-12(9-15-13)21(18,19)17-4-3-11(10-17)16-5-7-20-8-6-16/h1-2,9,11H,3-8,10H2,(H2,14,15)
InChIKeyNUNGXTJEQMQYGZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.24
Rot. Bonds3

About 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine

5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 63174663) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID63174663
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESNc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)C2)cn1
InChIInChI=1S/C13H20N4O3S/c14-13-2-1-12(9-15-13)21(18,19)17-4-3-11(10-17)16-5-7-20-8-6-16/h1-2,9,11H,3-8,10H2,(H2,14,15)
InChIKeyNUNGXTJEQMQYGZ-UHFFFAOYSA-N
XLogP-0.24
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
CID 129398340
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine
CID 62147207
5-(4-cyclopentylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62369821
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol
CID 81265123
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
5-(4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine
CID 67513413
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
CID 62968539
[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-2-pyridinyl]methanamine
CID 114613483
5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62159105
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068

Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 63174663) is 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine is Nc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)C2)cn1.
What is the InChIKey of 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is NUNGXTJEQMQYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c14-13-2-1-12(9-15-13)21(18,19)17-4-3-11(10-17)16-5-7-20-8-6-16/h1-2,9,11H,3-8,10H2,(H2,14,15).
What are the key properties of 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 312.39 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 63174663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).