N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide

C25H30N4O2S — CID 24732359

IUPACN-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(CC1CC1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C25H30N4O2S/c30-32(31,24-8-3-5-21-6-4-15-27-25(21)24)29(19-20-9-10-20)23-12-17-28(18-13-23)16-11-22-7-1-2-14-26-22/h1-8,14-15,20,23H,9-13,16-19H2
InChIKeyCLMCZVSWQLTASX-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.74
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide

N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide (PubChem CID 24732359) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide
PubChem CID24732359
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(CC1CC1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C25H30N4O2S/c30-32(31,24-8-3-5-21-6-4-15-27-25(21)24)29(19-20-9-10-20)23-12-17-28(18-13-23)16-11-22-7-1-2-14-26-22/h1-8,14-15,20,23H,9-13,16-19H2
InChIKeyCLMCZVSWQLTASX-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(furan-2-ylmethyl)quinoline-8-sulfonamide
CID 24730700
N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 24732380
N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
CID 146065089
N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
CID 47090107
N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
CID 46232860
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 65427611
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
CID 146123829
1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
CID 96567368

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide (CID 24732359) is N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide is O=S(=O)(c1cccc2cccnc12)N(CC1CC1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide?
The InChIKey is CLMCZVSWQLTASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c30-32(31,24-8-3-5-21-6-4-15-27-25(21)24)29(19-20-9-10-20)23-12-17-28(18-13-23)16-11-22-7-1-2-14-26-22/h1-8,14-15,20,23H,9-13,16-19H2.
What are the key properties of N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide?
N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide has a molecular weight of 450.61 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 24732359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).