N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine

C10H20N2O2S — CID 114414040

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CC=CCC1
InChIInChI=1S/C10H20N2O2S/c1-2-6-11-7-10-15(13,14)12-8-4-3-5-9-12/h3-4,11H,2,5-10H2,1H3
InChIKeyNDHMCKBVHQMJMF-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.58
Rot. Bonds6

About N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine

N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine (PubChem CID 114414040) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine
PubChem CID114414040
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CC=CCC1
InChIInChI=1S/C10H20N2O2S/c1-2-6-11-7-10-15(13,14)12-8-4-3-5-9-12/h3-4,11H,2,5-10H2,1H3
InChIKeyNDHMCKBVHQMJMF-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine
CID 114411267
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310
N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
CID 113419411
3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 114412953
1-but-3-ynylsulfonyl-3,6-dihydro-2H-pyridine
CID 131101965
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine
CID 102746509
1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582
N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine
CID 114597684
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]methyl]ethanamine
CID 114414026
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 114414158
N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine
CID 54989669
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine (CID 114414040) is N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine is CCCNCCS(=O)(=O)N1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine?
The InChIKey is NDHMCKBVHQMJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-6-11-7-10-15(13,14)12-8-4-3-5-9-12/h3-4,11H,2,5-10H2,1H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine?
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine is sourced from PubChem (CID 114414040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).