N,N-di(propan-2-yl)piperazine-1-sulfonamide

C10H23N3O2S — CID 16770069

IUPACN,N-di(propan-2-yl)piperazine-1-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H23N3O2S/c1-9(2)13(10(3)4)16(14,15)12-7-5-11-6-8-12/h9-11H,5-8H2,1-4H3
InChIKeyGVKDIPJRYVZUKI-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.26
Rot. Bonds4

About N,N-di(propan-2-yl)piperazine-1-sulfonamide

N,N-di(propan-2-yl)piperazine-1-sulfonamide (PubChem CID 16770069) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N,N-di(propan-2-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)piperazine-1-sulfonamide
PubChem CID16770069
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN,N-di(propan-2-yl)piperazine-1-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H23N3O2S/c1-9(2)13(10(3)4)16(14,15)12-7-5-11-6-8-12/h9-11H,5-8H2,1-4H3
InChIKeyGVKDIPJRYVZUKI-UHFFFAOYSA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)piperazine-1-sulfonamide?
The IUPAC name of N,N-di(propan-2-yl)piperazine-1-sulfonamide (CID 16770069) is N,N-di(propan-2-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-di(propan-2-yl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-di(propan-2-yl)piperazine-1-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N,N-di(propan-2-yl)piperazine-1-sulfonamide?
The InChIKey is GVKDIPJRYVZUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-9(2)13(10(3)4)16(14,15)12-7-5-11-6-8-12/h9-11H,5-8H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)piperazine-1-sulfonamide?
N,N-di(propan-2-yl)piperazine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 16770069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).