N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide

C14H22ClN3O2S — CID 71989111

IUPACN-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1Cc1ccncc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-21(19,20)17-8-6-13-4-2-3-9-18(13)11-12-5-7-16-10-14(12)15/h5,7,10,13,17H,2-4,6,8-9,11H2,1H3
InChIKeyDWZFIZVNQOKDHR-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 71989111) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID71989111
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1Cc1ccncc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-21(19,20)17-8-6-13-4-2-3-9-18(13)11-12-5-7-16-10-14(12)15/h5,7,10,13,17H,2-4,6,8-9,11H2,1H3
InChIKeyDWZFIZVNQOKDHR-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 80671260
N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634221
methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
CID 79833064
N-[2-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 112840806
N-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 47280772
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78899376
N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 78899671
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 127245086
N-[2-[1-(2-pyridin-3-yloxypropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 154739755
(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 97078704
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 71989111) is N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCCN1Cc1ccncc1Cl.
What is the InChIKey of N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is DWZFIZVNQOKDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-21(19,20)17-8-6-13-4-2-3-9-18(13)11-12-5-7-16-10-14(12)15/h5,7,10,13,17H,2-4,6,8-9,11H2,1H3.
What are the key properties of N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71989111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).