1-cyclopropyl-4-methylsulfanylpiperazine

C8H16N2S — CID 118352415

IUPAC1-cyclopropyl-4-methylsulfanylpiperazine
SMILESCSN1CCN(C2CC2)CC1
InChIInChI=1S/C8H16N2S/c1-11-10-6-4-9(5-7-10)8-2-3-8/h8H,2-7H2,1H3
InChIKeySPKKMFQYHAUMNP-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.04
Rot. Bonds2

About 1-cyclopropyl-4-methylsulfanylpiperazine

1-cyclopropyl-4-methylsulfanylpiperazine (PubChem CID 118352415) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-cyclopropyl-4-methylsulfanylpiperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-methylsulfanylpiperazine
PubChem CID118352415
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-cyclopropyl-4-methylsulfanylpiperazine
SMILESCSN1CCN(C2CC2)CC1
InChIInChI=1S/C8H16N2S/c1-11-10-6-4-9(5-7-10)8-2-3-8/h8H,2-7H2,1H3
InChIKeySPKKMFQYHAUMNP-UHFFFAOYSA-N
XLogP1.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methylsulfanylpiperazine?
The IUPAC name of 1-cyclopropyl-4-methylsulfanylpiperazine (CID 118352415) is 1-cyclopropyl-4-methylsulfanylpiperazine.
What is the SMILES notation for 1-cyclopropyl-4-methylsulfanylpiperazine?
The canonical SMILES for 1-cyclopropyl-4-methylsulfanylpiperazine is CSN1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-methylsulfanylpiperazine?
The InChIKey is SPKKMFQYHAUMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-11-10-6-4-9(5-7-10)8-2-3-8/h8H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-4-methylsulfanylpiperazine?
1-cyclopropyl-4-methylsulfanylpiperazine has a molecular weight of 172.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methylsulfanylpiperazine is sourced from PubChem (CID 118352415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).