N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide

C12H25N3O4S — CID 61254669

IUPACN-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCCOCC1CCCO1)N1CCNCC1
InChIInChI=1S/C12H25N3O4S/c16-20(17,15-7-5-13-6-8-15)14-4-2-9-18-11-12-3-1-10-19-12/h12-14H,1-11H2
InChIKeyJRIWWEDSCAIGPW-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.69
Rot. Bonds8

About N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide

N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide (PubChem CID 61254669) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide
PubChem CID61254669
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC NameN-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCCOCC1CCCO1)N1CCNCC1
InChIInChI=1S/C12H25N3O4S/c16-20(17,15-7-5-13-6-8-15)14-4-2-9-18-11-12-3-1-10-19-12/h12-14H,1-11H2
InChIKeyJRIWWEDSCAIGPW-UHFFFAOYSA-N
XLogP-0.69
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
CID 94171929
N-(3-propoxypropyl)piperazine-1-sulfonamide
CID 82943293
N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide
CID 164633043
3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
CID 61248566
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
CID 26192445
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858
N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 79072139
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
CID 106304904

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide (CID 61254669) is N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide is O=S(=O)(NCCCOCC1CCCO1)N1CCNCC1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide?
The InChIKey is JRIWWEDSCAIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c16-20(17,15-7-5-13-6-8-15)14-4-2-9-18-11-12-3-1-10-19-12/h12-14H,1-11H2.
What are the key properties of N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide?
N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61254669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).