trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide

C17H21N3O2S — CID 136589204

IUPACtrans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide
SMILESCN(CCNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccn1
InChIInChI=1S/C17H21N3O2S/c1-20(17-9-5-6-10-18-17)12-11-19-23(21,22)16-13-15(16)14-7-3-2-4-8-14/h2-10,15-16,19H,11-13H2,1H3/t15-,16+/m0/s1
InChIKeyQMWGESIQDSFEIR-JKSUJKDBSA-N
MW331.44 g/mol
LogP1.99
Rot. Bonds7

About trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide

trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide (PubChem CID 136589204) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide
PubChem CID136589204
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Nametrans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide
SMILESCN(CCNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccn1
InChIInChI=1S/C17H21N3O2S/c1-20(17-9-5-6-10-18-17)12-11-19-23(21,22)16-13-15(16)14-7-3-2-4-8-14/h2-10,15-16,19H,11-13H2,1H3/t15-,16+/m0/s1
InChIKeyQMWGESIQDSFEIR-JKSUJKDBSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
CID 166331962
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trans-(1R,2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
CID 126822945
trans-(1S,2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
CID 164635717
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(2-methylsulfonylcyclopropyl)benzene
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3-[methyl(pyridin-2-yl)amino]propan-1-ol
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N-methyl-N-(4-phenylbutyl)pyridin-2-amine
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N-methyl-N-[2-(methylaminooxy)ethyl]pyridin-2-amine
CID 89132306
2-[methyl(sulfamoyl)amino]pyridine
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CID 71627035

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide?
The IUPAC name of trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide (CID 136589204) is trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide.
What is the SMILES notation for trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide?
The canonical SMILES for trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide is CN(CCNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccn1.
What is the InChIKey of trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide?
The InChIKey is QMWGESIQDSFEIR-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-20(17-9-5-6-10-18-17)12-11-19-23(21,22)16-13-15(16)14-7-3-2-4-8-14/h2-10,15-16,19H,11-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide?
trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide is sourced from PubChem (CID 136589204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).