2-cyclopropyl-1-prop-2-enylsulfonylpiperazine

C10H18N2O2S — CID 174599421

IUPAC2-cyclopropyl-1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNCC1C1CC1
InChIInChI=1S/C10H18N2O2S/c1-2-7-15(13,14)12-6-5-11-8-10(12)9-3-4-9/h2,9-11H,1,3-8H2
InChIKeyDSFGPNLFCRBZMC-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.19
Rot. Bonds4

About 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine

2-cyclopropyl-1-prop-2-enylsulfonylpiperazine (PubChem CID 174599421) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-prop-2-enylsulfonylpiperazine
PubChem CID174599421
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-cyclopropyl-1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNCC1C1CC1
InChIInChI=1S/C10H18N2O2S/c1-2-7-15(13,14)12-6-5-11-8-10(12)9-3-4-9/h2,9-11H,1,3-8H2
InChIKeyDSFGPNLFCRBZMC-UHFFFAOYSA-N
XLogP0.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine?
The IUPAC name of 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine (CID 174599421) is 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine is C=CCS(=O)(=O)N1CCNCC1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine?
The InChIKey is DSFGPNLFCRBZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-7-15(13,14)12-6-5-11-8-10(12)9-3-4-9/h2,9-11H,1,3-8H2.
What are the key properties of 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine?
2-cyclopropyl-1-prop-2-enylsulfonylpiperazine has a molecular weight of 230.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-prop-2-enylsulfonylpiperazine is sourced from PubChem (CID 174599421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).