N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide

C9H19N3O3S — CID 61251830

IUPACN-(oxolan-3-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)N1CCNCC1
InChIInChI=1S/C9H19N3O3S/c13-16(14,12-4-2-10-3-5-12)11-7-9-1-6-15-8-9/h9-11H,1-8H2
InChIKeyCJJWGKODZZXTAE-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.24
Rot. Bonds4

About N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide

N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide (PubChem CID 61251830) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)piperazine-1-sulfonamide
PubChem CID61251830
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-(oxolan-3-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)N1CCNCC1
InChIInChI=1S/C9H19N3O3S/c13-16(14,12-4-2-10-3-5-12)11-7-9-1-6-15-8-9/h9-11H,1-8H2
InChIKeyCJJWGKODZZXTAE-UHFFFAOYSA-N
XLogP-1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide (CID 61251830) is N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide is O=S(=O)(NCC1CCOC1)N1CCNCC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide?
The InChIKey is CJJWGKODZZXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c13-16(14,12-4-2-10-3-5-12)11-7-9-1-6-15-8-9/h9-11H,1-8H2.
What are the key properties of N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide?
N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61251830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).