N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide

C14H20ClN3O2S — CID 163346294

IUPACN-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCCN(c2ccc(Cl)cn2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H20ClN3O2S/c1-17(21(19,20)13-5-6-13)12-3-2-8-18(10-12)14-7-4-11(15)9-16-14/h4,7,9,12-13H,2-3,5-6,8,10H2,1H3
InChIKeyKQJKLIGPGHQLHA-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.13
Rot. Bonds4

About N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide

N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163346294) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
PubChem CID163346294
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC NameN-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCCN(c2ccc(Cl)cn2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H20ClN3O2S/c1-17(21(19,20)13-5-6-13)12-3-2-8-18(10-12)14-7-4-11(15)9-16-14/h4,7,9,12-13H,2-3,5-6,8,10H2,1H3
InChIKeyKQJKLIGPGHQLHA-UHFFFAOYSA-N
XLogP2.13
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
CID 166603265
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432
N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 163346580
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
N-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanesulfonamide
CID 154582611
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346546

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide (CID 163346294) is N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide is CN(C1CCCN(c2ccc(Cl)cn2)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is KQJKLIGPGHQLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-17(21(19,20)13-5-6-13)12-3-2-8-18(10-12)14-7-4-11(15)9-16-14/h4,7,9,12-13H,2-3,5-6,8,10H2,1H3.
What are the key properties of N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide?
N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 329.85 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163346294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).