3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine

C15H28N2S — CID 114121917

IUPAC3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine
SMILESCCSC1CCCC1N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C15H28N2S/c1-3-18-14-6-4-5-13(14)17-10-9-16-15(2,11-17)12-7-8-12/h12-14,16H,3-11H2,1-2H3
InChIKeyKSVXPADRNXMBNZ-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.73
Rot. Bonds4

About 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine

3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine (PubChem CID 114121917) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine
PubChem CID114121917
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine
SMILESCCSC1CCCC1N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C15H28N2S/c1-3-18-14-6-4-5-13(14)17-10-9-16-15(2,11-17)12-7-8-12/h12-14,16H,3-11H2,1-2H3
InChIKeyKSVXPADRNXMBNZ-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine (CID 114121917) is 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine is CCSC1CCCC1N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine?
The InChIKey is KSVXPADRNXMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-18-14-6-4-5-13(14)17-10-9-16-15(2,11-17)12-7-8-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine?
3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine has a molecular weight of 268.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine is sourced from PubChem (CID 114121917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).