N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide

C12H25N3O2S — CID 25219516

IUPACN,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-14(2)18(16,17)15-9-5-12(6-10-15)11-3-7-13-8-4-11/h11-13H,3-10H2,1-2H3
InChIKeyJYTHYCMPNRDNOL-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.50
Rot. Bonds3

About N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide

N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide (PubChem CID 25219516) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide
PubChem CID25219516
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-14(2)18(16,17)15-9-5-12(6-10-15)11-3-7-13-8-4-11/h11-13H,3-10H2,1-2H3
InChIKeyJYTHYCMPNRDNOL-UHFFFAOYSA-N
XLogP0.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide (CID 25219516) is N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide?
The InChIKey is JYTHYCMPNRDNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-14(2)18(16,17)15-9-5-12(6-10-15)11-3-7-13-8-4-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide?
N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 25219516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).