methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate

C9H16N2O5S — CID 11887330

IUPACmethyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(S(C)(=O)=O)CCN1C(C)=O
InChIInChI=1S/C9H16N2O5S/c1-7(12)11-5-4-10(17(3,14)15)6-8(11)9(13)16-2/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyPJHXLANKTGKUHQ-MRVPVSSYSA-N
MW264.30 g/mol
LogP-1.35
Rot. Bonds2

About methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate

methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate (PubChem CID 11887330) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate
PubChem CID11887330
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Namemethyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(S(C)(=O)=O)CCN1C(C)=O
InChIInChI=1S/C9H16N2O5S/c1-7(12)11-5-4-10(17(3,14)15)6-8(11)9(13)16-2/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyPJHXLANKTGKUHQ-MRVPVSSYSA-N
XLogP-1.35
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 7161619
CID 7161619
CID 7161680
CID 7161680
CID 7161681
CID 7161681
CID 7663447
CID 7663447
CID 24730494
CID 24730494
CID 24733176
CID 24733176
CID 18387515
CID 18387515
CID 19422480
CID 19422480
CID 52366487
CID 52366487
CID 54058907
CID 54058907
CID 54225722
CID 54225722
CID 54309376
CID 54309376

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate?
The IUPAC name of methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate (CID 11887330) is methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate is COC(=O)[C@H]1CN(S(C)(=O)=O)CCN1C(C)=O.
What is the InChIKey of methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate?
The InChIKey is PJHXLANKTGKUHQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-7(12)11-5-4-10(17(3,14)15)6-8(11)9(13)16-2/h8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate?
methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate has a molecular weight of 264.30 g/mol, XLogP of -1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-acetyl-4-methylsulfonylpiperazine-2-carboxylate is sourced from PubChem (CID 11887330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).