1-cyclopropylsulfonylpiperazine-2-carbonitrile

C8H13N3O2S — CID 79091370

IUPAC1-cyclopropylsulfonylpiperazine-2-carbonitrile
SMILESN#CC1CNCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C8H13N3O2S/c9-5-7-6-10-3-4-11(7)14(12,13)8-1-2-8/h7-8,10H,1-4,6H2
InChIKeyKLLAHUDPXYUGPH-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.72
Rot. Bonds2

About 1-cyclopropylsulfonylpiperazine-2-carbonitrile

1-cyclopropylsulfonylpiperazine-2-carbonitrile (PubChem CID 79091370) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpiperazine-2-carbonitrile.

Molecular Properties

Compound Name1-cyclopropylsulfonylpiperazine-2-carbonitrile
PubChem CID79091370
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-cyclopropylsulfonylpiperazine-2-carbonitrile
SMILESN#CC1CNCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C8H13N3O2S/c9-5-7-6-10-3-4-11(7)14(12,13)8-1-2-8/h7-8,10H,1-4,6H2
InChIKeyKLLAHUDPXYUGPH-UHFFFAOYSA-N
XLogP-0.72
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylpiperazine-2-carbonitrile?
The IUPAC name of 1-cyclopropylsulfonylpiperazine-2-carbonitrile (CID 79091370) is 1-cyclopropylsulfonylpiperazine-2-carbonitrile.
What is the SMILES notation for 1-cyclopropylsulfonylpiperazine-2-carbonitrile?
The canonical SMILES for 1-cyclopropylsulfonylpiperazine-2-carbonitrile is N#CC1CNCCN1S(=O)(=O)C1CC1.
What is the InChIKey of 1-cyclopropylsulfonylpiperazine-2-carbonitrile?
The InChIKey is KLLAHUDPXYUGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c9-5-7-6-10-3-4-11(7)14(12,13)8-1-2-8/h7-8,10H,1-4,6H2.
What are the key properties of 1-cyclopropylsulfonylpiperazine-2-carbonitrile?
1-cyclopropylsulfonylpiperazine-2-carbonitrile has a molecular weight of 215.28 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpiperazine-2-carbonitrile is sourced from PubChem (CID 79091370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).