N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide

C9H19N3O2S — CID 114414187

IUPACN-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CC=CCC1
InChIInChI=1S/C9H19N3O2S/c1-11(7-5-6-10)15(13,14)12-8-3-2-4-9-12/h2-3H,4-10H2,1H3
InChIKeyVYJXKZXVGBUHHV-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.23
Rot. Bonds5

About N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide

N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 114414187) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID114414187
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC NameN-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CC=CCC1
InChIInChI=1S/C9H19N3O2S/c1-11(7-5-6-10)15(13,14)12-8-3-2-4-9-12/h2-3H,4-10H2,1H3
InChIKeyVYJXKZXVGBUHHV-UHFFFAOYSA-N
XLogP-0.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.23
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-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 114491119
N-(3-aminopropyl)-N,3,4,5-tetramethylpiperazine-1-sulfonamide
CID 114545497
N-(3-aminopropyl)-N-methyl-8-azaspiro[4.5]decane-8-sulfonamide
CID 63159100
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide
CID 62973769
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 112624880
N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
CID 61456581
N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79932436
N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
CID 114238612
N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
CID 107404128

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 114414187) is N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CC=CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is VYJXKZXVGBUHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-11(7-5-6-10)15(13,14)12-8-3-2-4-9-12/h2-3H,4-10H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 233.34 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 114414187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).