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

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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).