N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide

C13H25N3O3S — CID 61029610

IUPACN-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)CC2CCNCC2)C1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)15-12-3-2-8-16(10-12)13(17)9-11-4-6-14-7-5-11/h11-12,14-15H,2-10H2,1H3
InChIKeyCTIVNOMEEVTGSI-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.08
Rot. Bonds4

About N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide

N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide (PubChem CID 61029610) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide
PubChem CID61029610
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)CC2CCNCC2)C1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)15-12-3-2-8-16(10-12)13(17)9-11-4-6-14-7-5-11/h11-12,14-15H,2-10H2,1H3
InChIKeyCTIVNOMEEVTGSI-UHFFFAOYSA-N
XLogP-0.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide (CID 61029610) is N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)CC2CCNCC2)C1.
What is the InChIKey of N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is CTIVNOMEEVTGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-20(18,19)15-12-3-2-8-16(10-12)13(17)9-11-4-6-14-7-5-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide?
N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 61029610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).