propyl 4-methylsulfonylpiperazine-1-carboxylate

C9H18N2O4S — CID 142778175

IUPACpropyl 4-methylsulfonylpiperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H18N2O4S/c1-3-8-15-9(12)10-4-6-11(7-5-10)16(2,13)14/h3-8H2,1-2H3
InChIKeyUTFIQSKULWHHSH-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.11
Rot. Bonds3

About propyl 4-methylsulfonylpiperazine-1-carboxylate

propyl 4-methylsulfonylpiperazine-1-carboxylate (PubChem CID 142778175) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is propyl 4-methylsulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-methylsulfonylpiperazine-1-carboxylate
PubChem CID142778175
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namepropyl 4-methylsulfonylpiperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H18N2O4S/c1-3-8-15-9(12)10-4-6-11(7-5-10)16(2,13)14/h3-8H2,1-2H3
InChIKeyUTFIQSKULWHHSH-UHFFFAOYSA-N
XLogP0.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-methylsulfonylpiperazine-1-carboxylate?
The IUPAC name of propyl 4-methylsulfonylpiperazine-1-carboxylate (CID 142778175) is propyl 4-methylsulfonylpiperazine-1-carboxylate.
What is the SMILES notation for propyl 4-methylsulfonylpiperazine-1-carboxylate?
The canonical SMILES for propyl 4-methylsulfonylpiperazine-1-carboxylate is CCCOC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of propyl 4-methylsulfonylpiperazine-1-carboxylate?
The InChIKey is UTFIQSKULWHHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-8-15-9(12)10-4-6-11(7-5-10)16(2,13)14/h3-8H2,1-2H3.
What are the key properties of propyl 4-methylsulfonylpiperazine-1-carboxylate?
propyl 4-methylsulfonylpiperazine-1-carboxylate has a molecular weight of 250.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-methylsulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 142778175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).