[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide

C14H22N4O3S — CID 118768662

IUPAC[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCN(CC(=O)N1CCC(CS(N)(=O)=O)C1)Cc1cccnc1
InChIInChI=1S/C14H22N4O3S/c1-17(8-12-3-2-5-16-7-12)10-14(19)18-6-4-13(9-18)11-22(15,20)21/h2-3,5,7,13H,4,6,8-11H2,1H3,(H2,15,20,21)
InChIKeyIECHGDDIFGKZRS-UHFFFAOYSA-N
MW326.42 g/mol
LogP-0.35
Rot. Bonds6

About [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide

[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 118768662) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID118768662
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCN(CC(=O)N1CCC(CS(N)(=O)=O)C1)Cc1cccnc1
InChIInChI=1S/C14H22N4O3S/c1-17(8-12-3-2-5-16-7-12)10-14(19)18-6-4-13(9-18)11-22(15,20)21/h2-3,5,7,13H,4,6,8-11H2,1H3,(H2,15,20,21)
InChIKeyIECHGDDIFGKZRS-UHFFFAOYSA-N
XLogP-0.35
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1-methyl-4-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-1,4-diazepane-6-carboxamide
CID 124992362
3-[(3R,4S)-4-(dimethylamino)-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanoic acid
CID 72926561
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045
1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 128997041
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401008
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 97275304
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 125015209
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70782961

Frequently Asked Questions

What is the IUPAC name of [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide (CID 118768662) is [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide is CN(CC(=O)N1CCC(CS(N)(=O)=O)C1)Cc1cccnc1.
What is the InChIKey of [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IECHGDDIFGKZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-17(8-12-3-2-5-16-7-12)10-14(19)18-6-4-13(9-18)11-22(15,20)21/h2-3,5,7,13H,4,6,8-11H2,1H3,(H2,15,20,21).
What are the key properties of [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide?
[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 118768662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).