N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide

C10H16N2O2S — CID 78980226

IUPACN-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C10H16N2O2S/c1-3-8-15(13,14)12-9(2)10-6-4-5-7-11-10/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyHWKIZDHLUVAQPP-VIFPVBQESA-N
MW228.32 g/mol
LogP1.47
Rot. Bonds5

About N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide

N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide (PubChem CID 78980226) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
PubChem CID78980226
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C10H16N2O2S/c1-3-8-15(13,14)12-9(2)10-6-4-5-7-11-10/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyHWKIZDHLUVAQPP-VIFPVBQESA-N
XLogP1.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
CID 79580360
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
2-[(1R)-1-(dimethylsulfamoylamino)ethyl]pyridine
CID 94063709
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide (CID 78980226) is N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide?
The InChIKey is HWKIZDHLUVAQPP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-8-15(13,14)12-9(2)10-6-4-5-7-11-10/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide?
N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide is sourced from PubChem (CID 78980226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).