4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine

C15H23N5O2S — CID 87024756

IUPAC4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine
SMILESCN(CCC#N)S(=O)(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C15H23N5O2S/c1-19(9-5-7-16)23(21,22)18-13-14-6-8-17-15(12-14)20-10-3-2-4-11-20/h6,8,12,18H,2-5,9-11,13H2,1H3
InChIKeyPXPYVYOATYKREI-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.25
Rot. Bonds7

About 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine

4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine (PubChem CID 87024756) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine
PubChem CID87024756
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine
SMILESCN(CCC#N)S(=O)(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C15H23N5O2S/c1-19(9-5-7-16)23(21,22)18-13-14-6-8-17-15(12-14)20-10-3-2-4-11-20/h6,8,12,18H,2-5,9-11,13H2,1H3
InChIKeyPXPYVYOATYKREI-UHFFFAOYSA-N
XLogP1.25
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
CID 47027396
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
1-[4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065147
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 47062228
1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-3-methoxybenzene
CID 47164741
4-[4-[(diethylsulfamoylamino)methyl]-2-pyridinyl]morpholine
CID 35402758
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
4-[[[2-(azepan-1-yl)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119125452
3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine?
The IUPAC name of 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine (CID 87024756) is 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine.
What is the SMILES notation for 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine?
The canonical SMILES for 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine is CN(CCC#N)S(=O)(=O)NCc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine?
The InChIKey is PXPYVYOATYKREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-19(9-5-7-16)23(21,22)18-13-14-6-8-17-15(12-14)20-10-3-2-4-11-20/h6,8,12,18H,2-5,9-11,13H2,1H3.
What are the key properties of 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine?
4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine has a molecular weight of 337.45 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine is sourced from PubChem (CID 87024756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).