1-methyl-4-propylsulfinylpiperazine;hydrate

C8H20N2O2S — CID 143511258

IUPAC1-methyl-4-propylsulfinylpiperazine;hydrate
SMILESCCCS(=O)N1CCN(C)CC1.O
InChIInChI=1S/C8H18N2OS.H2O/c1-3-8-12(11)10-6-4-9(2)5-7-10;/h3-8H2,1-2H3;1H2
InChIKeyBSTIUSUGVWQIDH-UHFFFAOYSA-N
MW208.33 g/mol
LogP-0.52
Rot. Bonds3

About 1-methyl-4-propylsulfinylpiperazine;hydrate

1-methyl-4-propylsulfinylpiperazine;hydrate (PubChem CID 143511258) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-methyl-4-propylsulfinylpiperazine;hydrate.

Molecular Properties

Compound Name1-methyl-4-propylsulfinylpiperazine;hydrate
PubChem CID143511258
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-methyl-4-propylsulfinylpiperazine;hydrate
SMILESCCCS(=O)N1CCN(C)CC1.O
InChIInChI=1S/C8H18N2OS.H2O/c1-3-8-12(11)10-6-4-9(2)5-7-10;/h3-8H2,1-2H3;1H2
InChIKeyBSTIUSUGVWQIDH-UHFFFAOYSA-N
XLogP-0.52
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propylsulfinylpiperazine
CID 83695835
3,5-dimethyl-1-propylsulfinylpiperazine
CID 127006133
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
ethane;1-methyl-4-pentylpiperazine
CID 145099418
butane;1-methylpyrrolidine
CID 143371006
butane;1-ethyl-4-methylpiperazine
CID 143179774
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
1,4-dimethylpiperazine;ethane
CID 91292414
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane
CID 156885712
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
CID 118278399

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylsulfinylpiperazine;hydrate?
The IUPAC name of 1-methyl-4-propylsulfinylpiperazine;hydrate (CID 143511258) is 1-methyl-4-propylsulfinylpiperazine;hydrate.
What is the SMILES notation for 1-methyl-4-propylsulfinylpiperazine;hydrate?
The canonical SMILES for 1-methyl-4-propylsulfinylpiperazine;hydrate is CCCS(=O)N1CCN(C)CC1.O.
What is the InChIKey of 1-methyl-4-propylsulfinylpiperazine;hydrate?
The InChIKey is BSTIUSUGVWQIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS.H2O/c1-3-8-12(11)10-6-4-9(2)5-7-10;/h3-8H2,1-2H3;1H2.
What are the key properties of 1-methyl-4-propylsulfinylpiperazine;hydrate?
1-methyl-4-propylsulfinylpiperazine;hydrate has a molecular weight of 208.33 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylsulfinylpiperazine;hydrate is sourced from PubChem (CID 143511258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).