4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide

C11H24N4O2S — CID 114803524

IUPAC4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide
SMILESNCCCCN1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H24N4O2S/c12-5-1-2-6-14-7-9-15(10-8-14)18(16,17)13-11-3-4-11/h11,13H,1-10,12H2
InChIKeyDQMAAVODWZUDLQ-UHFFFAOYSA-N
MW276.41 g/mol
LogP-0.66
Rot. Bonds7

About 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide

4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide (PubChem CID 114803524) has the molecular formula C11H24N4O2S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide
PubChem CID114803524
Molecular FormulaC11H24N4O2S
Molecular Weight276.41 g/mol
Exact Mass276.16
IUPAC Name4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide
SMILESNCCCCN1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H24N4O2S/c12-5-1-2-6-14-7-9-15(10-8-14)18(16,17)13-11-3-4-11/h11,13H,1-10,12H2
InChIKeyDQMAAVODWZUDLQ-UHFFFAOYSA-N
XLogP-0.66
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide
CID 114803506
3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid
CID 114533580
methyl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461191
propan-2-yl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461189
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-sulfonamide
CID 114804010
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide
CID 114813386
4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114803495
methyl N-[[4-(3-aminopropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
CID 114461182
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
CID 63190695
3-[4-(1,1-dioxothian-4-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 62083513

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide (CID 114803524) is 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide is NCCCCN1CCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide?
The InChIKey is DQMAAVODWZUDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S/c12-5-1-2-6-14-7-9-15(10-8-14)18(16,17)13-11-3-4-11/h11,13H,1-10,12H2.
What are the key properties of 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide?
4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide has a molecular weight of 276.41 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide is sourced from PubChem (CID 114803524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).