N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride

C14H24Cl2N4O3S — CID 119443531

IUPACN-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
SMILESCN(C(=O)CCNS(=O)(=O)c1cccnc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N4O3S.2ClH/c1-18(12-4-8-15-9-5-12)14(19)6-10-17-22(20,21)13-3-2-7-16-11-13;;/h2-3,7,11-12,15,17H,4-6,8-10H2,1H3;2*1H
InChIKeyDDVGENDKUNHRTF-UHFFFAOYSA-N
MW399.34 g/mol
LogP0.80
Rot. Bonds6

About N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride

N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride (PubChem CID 119443531) has the molecular formula C14H24Cl2N4O3S and a molecular weight of 399.34 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
PubChem CID119443531
Molecular FormulaC14H24Cl2N4O3S
Molecular Weight399.34 g/mol
Exact Mass398.09
IUPAC NameN-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
SMILESCN(C(=O)CCNS(=O)(=O)c1cccnc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N4O3S.2ClH/c1-18(12-4-8-15-9-5-12)14(19)6-10-17-22(20,21)13-3-2-7-16-11-13;;/h2-3,7,11-12,15,17H,4-6,8-10H2,1H3;2*1H
InChIKeyDDVGENDKUNHRTF-UHFFFAOYSA-N
XLogP0.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441195
N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119389033
N-methyl-N-[4-[4-(methylsulfanylmethyl)triazol-1-yl]cyclohexyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 167776990
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442101
N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119463159
N-methyl-N-pyrrolidin-3-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119553738
N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119554581
N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119584043
1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide
CID 110031720
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride (CID 119443531) is N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride is CN(C(=O)CCNS(=O)(=O)c1cccnc1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The InChIKey is DDVGENDKUNHRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S.2ClH/c1-18(12-4-8-15-9-5-12)14(19)6-10-17-22(20,21)13-3-2-7-16-11-13;;/h2-3,7,11-12,15,17H,4-6,8-10H2,1H3;2*1H.
What are the key properties of N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride has a molecular weight of 399.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119443531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).