(2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine

C9H20N2O2S — CID 70967774

IUPAC(2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(C)(=O)=O)[C@@H](C)C1
InChIInChI=1S/C9H20N2O2S/c1-4-5-10-6-7-11(9(2)8-10)14(3,12)13/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyASPIEGCXAGJWNB-VIFPVBQESA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds3

About (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine

(2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine (PubChem CID 70967774) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine
PubChem CID70967774
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(C)(=O)=O)[C@@H](C)C1
InChIInChI=1S/C9H20N2O2S/c1-4-5-10-6-7-11(9(2)8-10)14(3,12)13/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyASPIEGCXAGJWNB-VIFPVBQESA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine?
The IUPAC name of (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine (CID 70967774) is (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine.
What is the SMILES notation for (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine?
The canonical SMILES for (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine is CCCN1CCN(S(C)(=O)=O)[C@@H](C)C1.
What is the InChIKey of (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine?
The InChIKey is ASPIEGCXAGJWNB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-5-10-6-7-11(9(2)8-10)14(3,12)13/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine?
(2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine is sourced from PubChem (CID 70967774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).