(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide

C11H17N3O2S — CID 97162039

IUPAC(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
SMILESC[C@@H](c1ccccn1)S(=O)(=O)N[C@@H]1CCNC1
InChIInChI=1S/C11H17N3O2S/c1-9(11-4-2-3-6-13-11)17(15,16)14-10-5-7-12-8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3/t9-,10+/m0/s1
InChIKeyOTKKXPWTWKLAEY-VHSXEESVSA-N
MW255.34 g/mol
LogP0.42
Rot. Bonds4

About (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide

(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 97162039) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
PubChem CID97162039
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
SMILESC[C@@H](c1ccccn1)S(=O)(=O)N[C@@H]1CCNC1
InChIInChI=1S/C11H17N3O2S/c1-9(11-4-2-3-6-13-11)17(15,16)14-10-5-7-12-8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3/t9-,10+/m0/s1
InChIKeyOTKKXPWTWKLAEY-VHSXEESVSA-N
XLogP0.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Betahistine Mesilate
CID 198334
2-Pyridineethanesulfonic acid
CID 96724
Betahistine monomesilate
CID 6420033
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
2-(Pyrrolidin-2-yl)pyridine
CID 2771659
1,1,1-Trifluoro-N-[(pyridin-2-yl)methyl]methanesulfonamide
CID 20807188
1-[1-(Butylsulfonyl)-5-phenyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 66924931
1-[1-(benzenesulfonyl)-5-pyridin-2-ylpyrrol-3-yl]-N-methylmethanamine
CID 66925181
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
Methyl[1-(pyridin-2-yl)ethyl]amine
CID 16773381
2-Methyl-1-(3-sulphonatopropyl)pyridinium
CID 91841
1-phenyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 669272

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide (CID 97162039) is (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide is C[C@@H](c1ccccn1)S(=O)(=O)N[C@@H]1CCNC1.
What is the InChIKey of (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is OTKKXPWTWKLAEY-VHSXEESVSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9(11-4-2-3-6-13-11)17(15,16)14-10-5-7-12-8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide?
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 97162039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).