(3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide

C14H24N4O2S — CID 99837715

IUPAC(3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1
InChIInChI=1S/C14H24N4O2S/c1-3-16-21(19,20)18-8-6-14(12-18)11-17(2)10-13-5-4-7-15-9-13/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyOXQHLKKSUSZUBI-AWEZNQCLSA-N
MW312.44 g/mol
LogP0.69
Rot. Bonds7

About (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide

(3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide (PubChem CID 99837715) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
PubChem CID99837715
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name(3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1
InChIInChI=1S/C14H24N4O2S/c1-3-16-21(19,20)18-8-6-14(12-18)11-17(2)10-13-5-4-7-15-9-13/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyOXQHLKKSUSZUBI-AWEZNQCLSA-N
XLogP0.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
CID 126806555
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042
(2S)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-methylsulfanylbutan-1-one
CID 129401051
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 129342529
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
1-[(3R)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400770
(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129400820
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide (CID 99837715) is (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1.
What is the InChIKey of (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is OXQHLKKSUSZUBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-16-21(19,20)18-8-6-14(12-18)11-17(2)10-13-5-4-7-15-9-13/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide?
(3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 99837715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).