2,3-dimethyl-1-propylsulfinylpiperazine

C9H20N2OS — CID 130933636

IUPAC2,3-dimethyl-1-propylsulfinylpiperazine
SMILESCCCS(=O)N1CCNC(C)C1C
InChIInChI=1S/C9H20N2OS/c1-4-7-13(12)11-6-5-10-8(2)9(11)3/h8-10H,4-7H2,1-3H3
InChIKeyTUMMZSYKOKWBIQ-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.74
Rot. Bonds3

About 2,3-dimethyl-1-propylsulfinylpiperazine

2,3-dimethyl-1-propylsulfinylpiperazine (PubChem CID 130933636) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-propylsulfinylpiperazine.

Molecular Properties

Compound Name2,3-dimethyl-1-propylsulfinylpiperazine
PubChem CID130933636
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2,3-dimethyl-1-propylsulfinylpiperazine
SMILESCCCS(=O)N1CCNC(C)C1C
InChIInChI=1S/C9H20N2OS/c1-4-7-13(12)11-6-5-10-8(2)9(11)3/h8-10H,4-7H2,1-3H3
InChIKeyTUMMZSYKOKWBIQ-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-propylsulfinylpiperazine
CID 83695835
3,5-dimethyl-1-propylsulfinylpiperazine
CID 127006133
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
CID 120613613
1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone
CID 120572516
2,3-dimethyl-1-(2-methylpentylsulfonyl)piperazine;hydrochloride
CID 120725770
1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 120613615
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467
1-methyl-4-propylsulfinylpiperazine;hydrate
CID 143511258
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
(E)-1-(2,3-dimethylpiperazin-1-yl)but-2-en-1-one
CID 131233400
4-(2,3-dimethylpiperazin-1-yl)butan-2-amine
CID 67575967

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propylsulfinylpiperazine?
The IUPAC name of 2,3-dimethyl-1-propylsulfinylpiperazine (CID 130933636) is 2,3-dimethyl-1-propylsulfinylpiperazine.
What is the SMILES notation for 2,3-dimethyl-1-propylsulfinylpiperazine?
The canonical SMILES for 2,3-dimethyl-1-propylsulfinylpiperazine is CCCS(=O)N1CCNC(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-propylsulfinylpiperazine?
The InChIKey is TUMMZSYKOKWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-7-13(12)11-6-5-10-8(2)9(11)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-propylsulfinylpiperazine?
2,3-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 2,3-dimethyl-1-propylsulfinylpiperazine is sourced from PubChem (CID 130933636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).