3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine

C14H22N4O3S — CID 136589078

IUPAC3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1O[C@H]1CCN(S(=O)(=O)N2CCC2)C1
InChIInChI=1S/C14H22N4O3S/c1-16(2)14-13(5-3-7-15-14)21-12-6-10-18(11-12)22(19,20)17-8-4-9-17/h3,5,7,12H,4,6,8-11H2,1-2H3/t12-/m0/s1
InChIKeyXDSRAYDTQXJUPF-LBPRGKRZSA-N
MW326.42 g/mol
LogP0.55
Rot. Bonds5

About 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine

3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine (PubChem CID 136589078) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
PubChem CID136589078
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1O[C@H]1CCN(S(=O)(=O)N2CCC2)C1
InChIInChI=1S/C14H22N4O3S/c1-16(2)14-13(5-3-7-15-14)21-12-6-10-18(11-12)22(19,20)17-8-4-9-17/h3,5,7,12H,4,6,8-11H2,1-2H3/t12-/m0/s1
InChIKeyXDSRAYDTQXJUPF-LBPRGKRZSA-N
XLogP0.55
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760261
2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 128967651
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 129333977
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
1-[(3R)-3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 129340088
1-[3-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 128965218
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129475193
3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
CID 128567952
3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129476096
4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine
CID 118675921
(5R)-5-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 129474182
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129476756

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine (CID 136589078) is 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1O[C@H]1CCN(S(=O)(=O)N2CCC2)C1.
What is the InChIKey of 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine?
The InChIKey is XDSRAYDTQXJUPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-16(2)14-13(5-3-7-15-14)21-12-6-10-18(11-12)22(19,20)17-8-4-9-17/h3,5,7,12H,4,6,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine?
3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine has a molecular weight of 326.42 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 136589078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).