4-(3-aminopropyl)piperidine-1-sulfonamide

C8H19N3O2S — CID 69121315

IUPAC4-(3-aminopropyl)piperidine-1-sulfonamide
SMILESNCCCC1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c9-5-1-2-8-3-6-11(7-4-8)14(10,12)13/h8H,1-7,9H2,(H2,10,12,13)
InChIKeyFPYTXOKCHJQTRW-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.36
Rot. Bonds4

About 4-(3-aminopropyl)piperidine-1-sulfonamide

4-(3-aminopropyl)piperidine-1-sulfonamide (PubChem CID 69121315) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(3-aminopropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)piperidine-1-sulfonamide
PubChem CID69121315
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name4-(3-aminopropyl)piperidine-1-sulfonamide
SMILESNCCCC1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c9-5-1-2-8-3-6-11(7-4-8)14(10,12)13/h8H,1-7,9H2,(H2,10,12,13)
InChIKeyFPYTXOKCHJQTRW-UHFFFAOYSA-N
XLogP-0.36
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(3-aminopropyl)piperidine-1-sulfonamide (CID 69121315) is 4-(3-aminopropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(3-aminopropyl)piperidine-1-sulfonamide is NCCCC1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(3-aminopropyl)piperidine-1-sulfonamide?
The InChIKey is FPYTXOKCHJQTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-5-1-2-8-3-6-11(7-4-8)14(10,12)13/h8H,1-7,9H2,(H2,10,12,13).
What are the key properties of 4-(3-aminopropyl)piperidine-1-sulfonamide?
4-(3-aminopropyl)piperidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 69121315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).