N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide

C10H14N2O3S — CID 141350629

IUPACN-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCc1cccnc1C=O
InChIInChI=1S/C10H14N2O3S/c1-16(14,15)12-7-3-5-9-4-2-6-11-10(9)8-13/h2,4,6,8,12H,3,5,7H2,1H3
InChIKeyVQDPFNBWHOZLPN-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.38
Rot. Bonds6

About N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide

N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide (PubChem CID 141350629) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide
PubChem CID141350629
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCc1cccnc1C=O
InChIInChI=1S/C10H14N2O3S/c1-16(14,15)12-7-3-5-9-4-2-6-11-10(9)8-13/h2,4,6,8,12H,3,5,7H2,1H3
InChIKeyVQDPFNBWHOZLPN-UHFFFAOYSA-N
XLogP0.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)pyridine-2-carbaldehyde
CID 87637871
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 43545947
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
CID 40718580
2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801
N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide
CID 103638583
N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide
CID 167771226
2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
CID 106594373
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide (CID 141350629) is N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide is CS(=O)(=O)NCCCc1cccnc1C=O.
What is the InChIKey of N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide?
The InChIKey is VQDPFNBWHOZLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-16(14,15)12-7-3-5-9-4-2-6-11-10(9)8-13/h2,4,6,8,12H,3,5,7H2,1H3.
What are the key properties of N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide?
N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide is sourced from PubChem (CID 141350629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).