4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide

C13H22N4O3S — CID 106062053

IUPAC4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)N2CCC(CN)CC2)ccn1
InChIInChI=1S/C13H22N4O3S/c1-20-13-8-12(2-5-15-13)10-16-21(18,19)17-6-3-11(9-14)4-7-17/h2,5,8,11,16H,3-4,6-7,9-10,14H2,1H3
InChIKeyKLOMDNYVHGRNNY-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.10
Rot. Bonds6

About 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide

4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide (PubChem CID 106062053) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
PubChem CID106062053
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)N2CCC(CN)CC2)ccn1
InChIInChI=1S/C13H22N4O3S/c1-20-13-8-12(2-5-15-13)10-16-21(18,19)17-6-3-11(9-14)4-7-17/h2,5,8,11,16H,3-4,6-7,9-10,14H2,1H3
InChIKeyKLOMDNYVHGRNNY-UHFFFAOYSA-N
XLogP0.10
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
4-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-sulfonamide
CID 106062465
4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018187
2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
CID 55141905
4-(aminomethyl)-N-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 106071212
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide
CID 39667071
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 47062228
N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47064899
1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 171690317

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide (CID 106062053) is 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide is COc1cc(CNS(=O)(=O)N2CCC(CN)CC2)ccn1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The InChIKey is KLOMDNYVHGRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-20-13-8-12(2-5-15-13)10-16-21(18,19)17-6-3-11(9-14)4-7-17/h2,5,8,11,16H,3-4,6-7,9-10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide?
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106062053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).