N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide

C11H19N3O3S — CID 113231668

IUPACN-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
SMILESCc1ccc(O)c(CNCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O3S/c1-9-4-5-11(15)10(14-9)8-12-6-3-7-13-18(2,16)17/h4-5,12-13,15H,3,6-8H2,1-2H3
InChIKeyMEVZVHLLGUTLHF-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.12
Rot. Bonds7

About N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide

N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide (PubChem CID 113231668) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
PubChem CID113231668
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
SMILESCc1ccc(O)c(CNCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O3S/c1-9-4-5-11(15)10(14-9)8-12-6-3-7-13-18(2,16)17/h4-5,12-13,15H,3,6-8H2,1-2H3
InChIKeyMEVZVHLLGUTLHF-UHFFFAOYSA-N
XLogP0.12
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pirbuterol
CID 4845
Pirbuterol, (R)-
CID 3246659
Prisotinol
CID 131302
2,6-Bis((dimethylamino)methyl)-3-pyridinol
CID 252256
6-[2-(Tert-butylamino)-1-hydroxyethyl]-2-(methylsulfonylmethyl)pyridin-3-ol
CID 12397273
6-[2-(Tert-butylamino)-1-hydroxyethyl]-2-methylpyridin-3-ol
CID 12397274
2-(1,4,8,11-Tetrazacyclotetradec-5-yl)pyridin-3-ol
CID 44271786
6-Methyl-2-[(3-methylanilino)methyl]pyridin-3-ol
CID 71984764
(S)-Pirbuterol
CID 45356253
2-(Aminomethyl)-6-methylpyridin-3-ol hydrochloride
CID 137935843
2-[(Dimethylamino)methyl]-6-methyl-3-pyridinol
CID 23333794
2-[[Cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol
CID 84593641

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide (CID 113231668) is N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide is Cc1ccc(O)c(CNCCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide?
The InChIKey is MEVZVHLLGUTLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-4-5-11(15)10(14-9)8-12-6-3-7-13-18(2,16)17/h4-5,12-13,15H,3,6-8H2,1-2H3.
What are the key properties of N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide?
N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 113231668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).