4-methylsulfonyl-N-propylpiperazine-1-carboxamide

C9H19N3O3S — CID 6469502

IUPAC4-methylsulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-3-4-10-9(13)11-5-7-12(8-6-11)16(2,14)15/h3-8H2,1-2H3,(H,10,13)
InChIKeyZQJQOXHHZSSDAE-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.32
Rot. Bonds3

About 4-methylsulfonyl-N-propylpiperazine-1-carboxamide

4-methylsulfonyl-N-propylpiperazine-1-carboxamide (PubChem CID 6469502) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-methylsulfonyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-propylpiperazine-1-carboxamide
PubChem CID6469502
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-methylsulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-3-4-10-9(13)11-5-7-12(8-6-11)16(2,14)15/h3-8H2,1-2H3,(H,10,13)
InChIKeyZQJQOXHHZSSDAE-UHFFFAOYSA-N
XLogP-0.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-propylpiperazine-1-carboxamide (CID 6469502) is 4-methylsulfonyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-N-propylpiperazine-1-carboxamide?
The InChIKey is ZQJQOXHHZSSDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-3-4-10-9(13)11-5-7-12(8-6-11)16(2,14)15/h3-8H2,1-2H3,(H,10,13).
What are the key properties of 4-methylsulfonyl-N-propylpiperazine-1-carboxamide?
4-methylsulfonyl-N-propylpiperazine-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 6469502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).