2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

C14H27N3O4S — CID 53383315

IUPAC2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)CN1C(=O)CN(S(C)(=O)=O)CC1(C)C(=O)NC(C)C
InChIInChI=1S/C14H27N3O4S/c1-10(2)7-17-12(18)8-16(22(6,20)21)9-14(17,5)13(19)15-11(3)4/h10-11H,7-9H2,1-6H3,(H,15,19)
InChIKeyOFWBCJNVYJIYSI-UHFFFAOYSA-N
MW333.45 g/mol
LogP0.03
Rot. Bonds5

About 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (PubChem CID 53383315) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
PubChem CID53383315
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)CN1C(=O)CN(S(C)(=O)=O)CC1(C)C(=O)NC(C)C
InChIInChI=1S/C14H27N3O4S/c1-10(2)7-17-12(18)8-16(22(6,20)21)9-14(17,5)13(19)15-11(3)4/h10-11H,7-9H2,1-6H3,(H,15,19)
InChIKeyOFWBCJNVYJIYSI-UHFFFAOYSA-N
XLogP0.03
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (CID 53383315) is 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is CC(C)CN1C(=O)CN(S(C)(=O)=O)CC1(C)C(=O)NC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is OFWBCJNVYJIYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-10(2)7-17-12(18)8-16(22(6,20)21)9-14(17,5)13(19)15-11(3)4/h10-11H,7-9H2,1-6H3,(H,15,19).
What are the key properties of 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 53383315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).