N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide

C14H29N3O2S — CID 119930356

IUPACN-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1CC1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-20(18,19)16-10-7-14-4-2-3-11-17(14)12-13-5-8-15-9-6-13/h13-16H,2-12H2,1H3
InChIKeyPUMCEHMZLJDXFV-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.78
Rot. Bonds6

About N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 119930356) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID119930356
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1CC1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-20(18,19)16-10-7-14-4-2-3-11-17(14)12-13-5-8-15-9-6-13/h13-16H,2-12H2,1H3
InChIKeyPUMCEHMZLJDXFV-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide (CID 119930356) is N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCCN1CC1CCNCC1.
What is the InChIKey of N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is PUMCEHMZLJDXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-20(18,19)16-10-7-14-4-2-3-11-17(14)12-13-5-8-15-9-6-13/h13-16H,2-12H2,1H3.
What are the key properties of N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 119930356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).