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

C14H27N3O3S — CID 61029356

IUPACN-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CC1CCNCC1
InChIInChI=1S/C14H27N3O3S/c1-21(19,20)16-11-13-4-2-3-9-17(13)14(18)10-12-5-7-15-8-6-12/h12-13,15-16H,2-11H2,1H3
InChIKeyQYGXSNKWFLIVFH-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.31
Rot. Bonds5

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

N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 61029356) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID61029356
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CC1CCNCC1
InChIInChI=1S/C14H27N3O3S/c1-21(19,20)16-11-13-4-2-3-9-17(13)14(18)10-12-5-7-15-8-6-12/h12-13,15-16H,2-11H2,1H3
InChIKeyQYGXSNKWFLIVFH-UHFFFAOYSA-N
XLogP0.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.31
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-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide (CID 61029356) is N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)CC1CCNCC1.
What is the InChIKey of N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is QYGXSNKWFLIVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-21(19,20)16-11-13-4-2-3-9-17(13)14(18)10-12-5-7-15-8-6-12/h12-13,15-16H,2-11H2,1H3.
What are the key properties of N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.31, 5 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-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 61029356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).