N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

C15H24N4O3S — CID 124995253

IUPACN-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCN(C)Cc1ccc([C@H]2CCCN2C(=O)CNS(C)(=O)=O)nc1
InChIInChI=1S/C15H24N4O3S/c1-18(2)11-12-6-7-13(16-9-12)14-5-4-8-19(14)15(20)10-17-23(3,21)22/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyQKSPFCGNOJMJQO-CQSZACIVSA-N
MW340.45 g/mol
LogP0.36
Rot. Bonds6

About N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 124995253) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID124995253
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCN(C)Cc1ccc([C@H]2CCCN2C(=O)CNS(C)(=O)=O)nc1
InChIInChI=1S/C15H24N4O3S/c1-18(2)11-12-6-7-13(16-9-12)14-5-4-8-19(14)15(20)10-17-23(3,21)22/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyQKSPFCGNOJMJQO-CQSZACIVSA-N
XLogP0.36
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898
N-[2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110116801
N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 92623221
1-[2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 110107682
1-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 124967514
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124962957
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124958735
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 125002274
[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 124949943
N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine
CID 125018998
N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
CID 110261232
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124939627

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 124995253) is N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is CN(C)Cc1ccc([C@H]2CCCN2C(=O)CNS(C)(=O)=O)nc1.
What is the InChIKey of N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is QKSPFCGNOJMJQO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-18(2)11-12-6-7-13(16-9-12)14-5-4-8-19(14)15(20)10-17-23(3,21)22/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 124995253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).