4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide

C10H19N3O3S — CID 79506671

IUPAC4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide
SMILESCC(C(=O)N1CCN(S(N)(=O)=O)CC1)C1CC1
InChIInChI=1S/C10H19N3O3S/c1-8(9-2-3-9)10(14)12-4-6-13(7-5-12)17(11,15)16/h8-9H,2-7H2,1H3,(H2,11,15,16)
InChIKeyVKHAWFPPMGOPON-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.62
Rot. Bonds3

About 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide

4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide (PubChem CID 79506671) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide
PubChem CID79506671
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide
SMILESCC(C(=O)N1CCN(S(N)(=O)=O)CC1)C1CC1
InChIInChI=1S/C10H19N3O3S/c1-8(9-2-3-9)10(14)12-4-6-13(7-5-12)17(11,15)16/h8-9H,2-7H2,1H3,(H2,11,15,16)
InChIKeyVKHAWFPPMGOPON-UHFFFAOYSA-N
XLogP-0.62
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide (CID 79506671) is 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide is CC(C(=O)N1CCN(S(N)(=O)=O)CC1)C1CC1.
What is the InChIKey of 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide?
The InChIKey is VKHAWFPPMGOPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8(9-2-3-9)10(14)12-4-6-13(7-5-12)17(11,15)16/h8-9H,2-7H2,1H3,(H2,11,15,16).
What are the key properties of 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide?
4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 79506671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).