1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine

C10H19N3O2S — CID 66195206

IUPAC1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine
SMILESO=S(=O)(C1CC1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C10H19N3O2S/c14-16(15,10-1-2-10)13-7-9(8-13)12-5-3-11-4-6-12/h9-11H,1-8H2
InChIKeyWBPRTBPTLLGCIL-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.93
Rot. Bonds3

About 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine

1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine (PubChem CID 66195206) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine
PubChem CID66195206
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine
SMILESO=S(=O)(C1CC1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C10H19N3O2S/c14-16(15,10-1-2-10)13-7-9(8-13)12-5-3-11-4-6-12/h9-11H,1-8H2
InChIKeyWBPRTBPTLLGCIL-UHFFFAOYSA-N
XLogP-0.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine?
The IUPAC name of 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine (CID 66195206) is 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine?
The canonical SMILES for 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine is O=S(=O)(C1CC1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine?
The InChIKey is WBPRTBPTLLGCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c14-16(15,10-1-2-10)13-7-9(8-13)12-5-3-11-4-6-12/h9-11H,1-8H2.
What are the key properties of 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine?
1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine has a molecular weight of 245.35 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylsulfonylazetidin-3-yl)piperazine is sourced from PubChem (CID 66195206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).