4-propan-2-ylpiperazine-1-sulfonamide

C7H17N3O2S — CID 43420291

IUPAC4-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H17N3O2S/c1-7(2)9-3-5-10(6-4-9)13(8,11)12/h7H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyAATIQJCRSHCJLM-UHFFFAOYSA-N
MW207.30 g/mol
LogP-0.78
Rot. Bonds2

About 4-propan-2-ylpiperazine-1-sulfonamide

4-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 43420291) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-propan-2-ylpiperazine-1-sulfonamide
PubChem CID43420291
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name4-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H17N3O2S/c1-7(2)9-3-5-10(6-4-9)13(8,11)12/h7H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyAATIQJCRSHCJLM-UHFFFAOYSA-N
XLogP-0.78
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 4-propan-2-ylpiperazine-1-sulfonamide (CID 43420291) is 4-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 4-propan-2-ylpiperazine-1-sulfonamide is CC(C)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is AATIQJCRSHCJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-7(2)9-3-5-10(6-4-9)13(8,11)12/h7H,3-6H2,1-2H3,(H2,8,11,12).
What are the key properties of 4-propan-2-ylpiperazine-1-sulfonamide?
4-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 207.30 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 43420291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).