N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide

C13H21N3O2S — CID 125437950

IUPACN-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)N1CCCC1)c1cc(C)ccn1
InChIInChI=1S/C13H21N3O2S/c1-3-12(13-10-11(2)6-7-14-13)15-19(17,18)16-8-4-5-9-16/h6-7,10,12,15H,3-5,8-9H2,1-2H3/t12-/m1/s1
InChIKeyOWTGCXFASFSWRB-GFCCVEGCSA-N
MW283.40 g/mol
LogP1.77
Rot. Bonds5

About N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide

N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide (PubChem CID 125437950) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide
PubChem CID125437950
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)N1CCCC1)c1cc(C)ccn1
InChIInChI=1S/C13H21N3O2S/c1-3-12(13-10-11(2)6-7-14-13)15-19(17,18)16-8-4-5-9-16/h6-7,10,12,15H,3-5,8-9H2,1-2H3/t12-/m1/s1
InChIKeyOWTGCXFASFSWRB-GFCCVEGCSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nornicotine
CID 91462
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
Lanicemine
CID 9794203
(R)-Nornicotine
CID 93047
5-Hexyl-2-methyl pyridine
CID 522401
N-Desmethylpheniramine
CID 161283
(S)-nicotinium(1+)
CID 6919000
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
1-phenyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine
CID 2770910
Nornicotyrine
CID 68125
1H-Pyrrole-2-methanamine, N-(phenylmethyl)-
CID 413448

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide (CID 125437950) is N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide is CC[C@@H](NS(=O)(=O)N1CCCC1)c1cc(C)ccn1.
What is the InChIKey of N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is OWTGCXFASFSWRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-12(13-10-11(2)6-7-14-13)15-19(17,18)16-8-4-5-9-16/h6-7,10,12,15H,3-5,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide?
N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 125437950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).