1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine

C11H23N3O5S2 — CID 63247269

IUPAC1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C11H23N3O5S2/c12-21(17,18)13-7-10-3-1-5-14(8-10)20(15,16)9-11-4-2-6-19-11/h10-11,13H,1-9H2,(H2,12,17,18)
InChIKeyUJYIGVAZSHDAEZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP-1.00
Rot. Bonds6

About 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 63247269) has the molecular formula C11H23N3O5S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID63247269
Molecular FormulaC11H23N3O5S2
Molecular Weight341.46 g/mol
Exact Mass341.11
IUPAC Name1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C11H23N3O5S2/c12-21(17,18)13-7-10-3-1-5-14(8-10)20(15,16)9-11-4-2-6-19-11/h10-11,13H,1-9H2,(H2,12,17,18)
InChIKeyUJYIGVAZSHDAEZ-UHFFFAOYSA-N
XLogP-1.00
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 63247269) is 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCN(S(=O)(=O)CC2CCCO2)C1.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is UJYIGVAZSHDAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S2/c12-21(17,18)13-7-10-3-1-5-14(8-10)20(15,16)9-11-4-2-6-19-11/h10-11,13H,1-9H2,(H2,12,17,18).
What are the key properties of 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 341.46 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 63247269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).