3,5-dimethyl-1-propylsulfinylpiperazine

C9H20N2OS — CID 127006133

IUPAC3,5-dimethyl-1-propylsulfinylpiperazine
SMILESCCCS(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C9H20N2OS/c1-4-5-13(12)11-6-8(2)10-9(3)7-11/h8-10H,4-7H2,1-3H3
InChIKeyPXTZSFIKWSXJDW-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.74
Rot. Bonds3

About 3,5-dimethyl-1-propylsulfinylpiperazine

3,5-dimethyl-1-propylsulfinylpiperazine (PubChem CID 127006133) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3,5-dimethyl-1-propylsulfinylpiperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-propylsulfinylpiperazine
PubChem CID127006133
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3,5-dimethyl-1-propylsulfinylpiperazine
SMILESCCCS(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C9H20N2OS/c1-4-5-13(12)11-6-8(2)10-9(3)7-11/h8-10H,4-7H2,1-3H3
InChIKeyPXTZSFIKWSXJDW-UHFFFAOYSA-N
XLogP0.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propylsulfinylpyrrolidine
CID 130963156
(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine
CID 131076534
2,3-dimethyl-1-propylsulfinylpiperazine
CID 130933636
3,5-dimethyl-1-pentylpiperazine
CID 63862612
2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide
CID 63873526
2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide
CID 63874454
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride
CID 167526507
3,5-dimethyl-1-(2-propoxyethyl)piperazine
CID 106455016
1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine
CID 67575951
1-(3,5-dimethylpiperazin-1-yl)-2-methylbutan-1-one
CID 63874418
1-(3,5-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 63873271

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propylsulfinylpiperazine?
The IUPAC name of 3,5-dimethyl-1-propylsulfinylpiperazine (CID 127006133) is 3,5-dimethyl-1-propylsulfinylpiperazine.
What is the SMILES notation for 3,5-dimethyl-1-propylsulfinylpiperazine?
The canonical SMILES for 3,5-dimethyl-1-propylsulfinylpiperazine is CCCS(=O)N1CC(C)NC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-propylsulfinylpiperazine?
The InChIKey is PXTZSFIKWSXJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-5-13(12)11-6-8(2)10-9(3)7-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-propylsulfinylpiperazine?
3,5-dimethyl-1-propylsulfinylpiperazine has a molecular weight of 204.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propylsulfinylpiperazine is sourced from PubChem (CID 127006133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).