N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide

C11H22N2O4S — CID 114413859

IUPACN-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCOCC1=CCN(S(=O)(=O)N(C)CCCO)CC1
InChIInChI=1S/C11H22N2O4S/c1-12(6-3-9-14)18(15,16)13-7-4-11(5-8-13)10-17-2/h4,14H,3,5-10H2,1-2H3
InChIKeyFFCHMQBFWWDGRD-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.18
Rot. Bonds7

About N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide

N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 114413859) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID114413859
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCOCC1=CCN(S(=O)(=O)N(C)CCCO)CC1
InChIInChI=1S/C11H22N2O4S/c1-12(6-3-9-14)18(15,16)13-7-4-11(5-8-13)10-17-2/h4,14H,3,5-10H2,1-2H3
InChIKeyFFCHMQBFWWDGRD-UHFFFAOYSA-N
XLogP-0.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-methylamino]propanoate
CID 114393227
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetic acid
CID 114408395
1-(2-chloroethylsulfonyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
CID 107652550
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-5-methyl-1H-pyrazol-3-yl]methanol
CID 114413872
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 114491119
N-(5-hydroxypentyl)-N-methylpiperazine-1-sulfonamide
CID 107200583
[4-bromo-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol
CID 114413865
2-[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pyrazol-1-yl]acetic acid
CID 114408416
2-methoxy-5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407928
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107198638
4-ethyl-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407862
2-bromo-4-fluoro-5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407877

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 114413859) is N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide is COCC1=CCN(S(=O)(=O)N(C)CCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is FFCHMQBFWWDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-12(6-3-9-14)18(15,16)13-7-4-11(5-8-13)10-17-2/h4,14H,3,5-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 114413859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).