4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide

C12H24N4O3S — CID 63143398

IUPAC4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide
SMILESCCCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCNC1
InChIInChI=1S/C12H24N4O3S/c1-2-3-12(4-5-14-10-12)11(17)15-6-8-16(9-7-15)20(13,18)19/h14H,2-10H2,1H3,(H2,13,18,19)
InChIKeyQPHBBZRPIKSUBE-UHFFFAOYSA-N
MW304.42 g/mol
LogP-0.89
Rot. Bonds4

About 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide

4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide (PubChem CID 63143398) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide
PubChem CID63143398
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide
SMILESCCCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCNC1
InChIInChI=1S/C12H24N4O3S/c1-2-3-12(4-5-14-10-12)11(17)15-6-8-16(9-7-15)20(13,18)19/h14H,2-10H2,1H3,(H2,13,18,19)
InChIKeyQPHBBZRPIKSUBE-UHFFFAOYSA-N
XLogP-0.89
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide (CID 63143398) is 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide is CCCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCNC1.
What is the InChIKey of 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide?
The InChIKey is QPHBBZRPIKSUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-2-3-12(4-5-14-10-12)11(17)15-6-8-16(9-7-15)20(13,18)19/h14H,2-10H2,1H3,(H2,13,18,19).
What are the key properties of 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide?
4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 63143398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).