1-piperidin-1-ylsulfonyl-1,4-diazepane

C10H21N3O2S — CID 28746674

IUPAC1-piperidin-1-ylsulfonyl-1,4-diazepane
SMILESO=S(=O)(N1CCCCC1)N1CCCNCC1
InChIInChI=1S/C10H21N3O2S/c14-16(15,12-7-2-1-3-8-12)13-9-4-5-11-6-10-13/h11H,1-10H2
InChIKeyRZDQFURGAFOELV-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.01
Rot. Bonds2

About 1-piperidin-1-ylsulfonyl-1,4-diazepane

1-piperidin-1-ylsulfonyl-1,4-diazepane (PubChem CID 28746674) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonyl-1,4-diazepane
PubChem CID28746674
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name1-piperidin-1-ylsulfonyl-1,4-diazepane
SMILESO=S(=O)(N1CCCCC1)N1CCCNCC1
InChIInChI=1S/C10H21N3O2S/c14-16(15,12-7-2-1-3-8-12)13-9-4-5-11-6-10-13/h11H,1-10H2
InChIKeyRZDQFURGAFOELV-UHFFFAOYSA-N
XLogP0.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonyl-1,4-diazepane?
The IUPAC name of 1-piperidin-1-ylsulfonyl-1,4-diazepane (CID 28746674) is 1-piperidin-1-ylsulfonyl-1,4-diazepane.
What is the SMILES notation for 1-piperidin-1-ylsulfonyl-1,4-diazepane?
The canonical SMILES for 1-piperidin-1-ylsulfonyl-1,4-diazepane is O=S(=O)(N1CCCCC1)N1CCCNCC1.
What is the InChIKey of 1-piperidin-1-ylsulfonyl-1,4-diazepane?
The InChIKey is RZDQFURGAFOELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c14-16(15,12-7-2-1-3-8-12)13-9-4-5-11-6-10-13/h11H,1-10H2.
What are the key properties of 1-piperidin-1-ylsulfonyl-1,4-diazepane?
1-piperidin-1-ylsulfonyl-1,4-diazepane has a molecular weight of 247.36 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonyl-1,4-diazepane is sourced from PubChem (CID 28746674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).