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

C10H20N2O2S — CID 114411267

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine
SMILESCC(C)NCCS(=O)(=O)N1CC=CCC1
InChIInChI=1S/C10H20N2O2S/c1-10(2)11-6-9-15(13,14)12-7-4-3-5-8-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyNFNAFWGDRIRUBW-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.58
Rot. Bonds5

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

N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine (PubChem CID 114411267) 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-2-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine
PubChem CID114411267
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine
SMILESCC(C)NCCS(=O)(=O)N1CC=CCC1
InChIInChI=1S/C10H20N2O2S/c1-10(2)11-6-9-15(13,14)12-7-4-3-5-8-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyNFNAFWGDRIRUBW-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine
CID 114414040
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine
CID 114414151
N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine
CID 55117033
N-[[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]methyl]propan-2-amine
CID 114411261
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
CID 114410601
N-[2-(2-ethylmorpholin-4-yl)sulfonylethyl]propan-2-amine
CID 54972030
1-but-3-ynylsulfonyl-3,6-dihydro-2H-pyridine
CID 131101965
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
N-[[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-3-fluorophenyl]methyl]propan-2-amine
CID 114414036
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54973906
1-(3-methylbutylsulfonyl)piperidine
CID 58689013

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine (CID 114411267) is N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine is CC(C)NCCS(=O)(=O)N1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine?
The InChIKey is NFNAFWGDRIRUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(2)11-6-9-15(13,14)12-7-4-3-5-8-12/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine?
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine has a molecular weight of 232.35 g/mol, XLogP of 0.58, 5 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-2-amine is sourced from PubChem (CID 114411267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).