3-[[3-(sulfamoylamino)propylamino]methyl]pyridine

C9H16N4O2S — CID 114959317

IUPAC3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
SMILESNS(=O)(=O)NCCCNCc1cccnc1
InChIInChI=1S/C9H16N4O2S/c10-16(14,15)13-6-2-5-12-8-9-3-1-4-11-7-9/h1,3-4,7,12-13H,2,5-6,8H2,(H2,10,14,15)
InChIKeyQWVFPLDSKOUEIM-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.65
Rot. Bonds7

About 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine

3-[[3-(sulfamoylamino)propylamino]methyl]pyridine (PubChem CID 114959317) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine.

Molecular Properties

Compound Name3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
PubChem CID114959317
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
SMILESNS(=O)(=O)NCCCNCc1cccnc1
InChIInChI=1S/C9H16N4O2S/c10-16(14,15)13-6-2-5-12-8-9-3-1-4-11-7-9/h1,3-4,7,12-13H,2,5-6,8H2,(H2,10,14,15)
InChIKeyQWVFPLDSKOUEIM-UHFFFAOYSA-N
XLogP-0.65
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
CID 43605840
2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 103951403
4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide
CID 4718104
2-propan-2-ylsulfonyl-N-(pyridin-3-ylmethyl)ethanamine
CID 106513112
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
2-(3-methylbutan-2-ylsulfonyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 107757364

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine?
The IUPAC name of 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine (CID 114959317) is 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine.
What is the SMILES notation for 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine?
The canonical SMILES for 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine is NS(=O)(=O)NCCCNCc1cccnc1.
What is the InChIKey of 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine?
The InChIKey is QWVFPLDSKOUEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c10-16(14,15)13-6-2-5-12-8-9-3-1-4-11-7-9/h1,3-4,7,12-13H,2,5-6,8H2,(H2,10,14,15).
What are the key properties of 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine?
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine has a molecular weight of 244.32 g/mol, XLogP of -0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(sulfamoylamino)propylamino]methyl]pyridine is sourced from PubChem (CID 114959317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).