N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide

C12H24N4O3S — CID 103808750

IUPACN,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C12H24N4O3S/c1-14(2)20(18,19)16-9-7-15(8-10-16)12(17)11-5-3-4-6-13-11/h11,13H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyMTBNAANYYPXOKE-LLVKDONJSA-N
MW304.42 g/mol
LogP-0.92
Rot. Bonds3

About N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide (PubChem CID 103808750) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide
PubChem CID103808750
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC NameN,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C12H24N4O3S/c1-14(2)20(18,19)16-9-7-15(8-10-16)12(17)11-5-3-4-6-13-11/h11,13H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyMTBNAANYYPXOKE-LLVKDONJSA-N
XLogP-0.92
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide (CID 103808750) is N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide?
The InChIKey is MTBNAANYYPXOKE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-14(2)20(18,19)16-9-7-15(8-10-16)12(17)11-5-3-4-6-13-11/h11,13H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 103808750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).