N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide

C12H19N3O3S — CID 61142839

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
SMILESCN([C@@H]1CNC[C@H]1O)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H19N3O3S/c1-15(11-8-14-9-12(11)16)19(17,18)7-4-10-2-5-13-6-3-10/h2-3,5-6,11-12,14,16H,4,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyGBRXXWYRVWWPLR-VXGBXAGGSA-N
MW285.37 g/mol
LogP-0.78
Rot. Bonds5

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide (PubChem CID 61142839) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
PubChem CID61142839
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
SMILESCN([C@@H]1CNC[C@H]1O)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H19N3O3S/c1-15(11-8-14-9-12(11)16)19(17,18)7-4-10-2-5-13-6-3-10/h2-3,5-6,11-12,14,16H,4,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyGBRXXWYRVWWPLR-VXGBXAGGSA-N
XLogP-0.78
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-piperidin-4-yl-2-pyridin-4-ylethanesulfonamide
CID 60890944
N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 82760083
N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide
CID 60891329
N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
CID 106631087
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
3-[methyl(2-pyridin-4-ylethylsulfonyl)amino]propanethioamide
CID 60892675
1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
CID 66201584
1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
CID 63106804
2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
CID 54900131
N-methyl-N-(pyridin-4-ylmethyl)azetidin-3-amine
CID 62786509
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide
CID 61448116

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide (CID 61142839) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide is CN([C@@H]1CNC[C@H]1O)S(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide?
The InChIKey is GBRXXWYRVWWPLR-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15(11-8-14-9-12(11)16)19(17,18)7-4-10-2-5-13-6-3-10/h2-3,5-6,11-12,14,16H,4,7-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 61142839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).