1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

C17H31N3O4S — CID 53383279

IUPAC1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1C1CCCCCC1
InChIInChI=1S/C17H31N3O4S/c1-13(2)18-16(22)17(3)12-19(25(4,23)24)11-15(21)20(17)14-9-7-5-6-8-10-14/h13-14H,5-12H2,1-4H3,(H,18,22)
InChIKeyRUGJTHPTIIZUFD-UHFFFAOYSA-N
MW373.52 g/mol
LogP1.10
Rot. Bonds4

About 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (PubChem CID 53383279) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
PubChem CID53383279
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC Name1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1C1CCCCCC1
InChIInChI=1S/C17H31N3O4S/c1-13(2)18-16(22)17(3)12-19(25(4,23)24)11-15(21)20(17)14-9-7-5-6-8-10-14/h13-14H,5-12H2,1-4H3,(H,18,22)
InChIKeyRUGJTHPTIIZUFD-UHFFFAOYSA-N
XLogP1.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (CID 53383279) is 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is CC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is RUGJTHPTIIZUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-13(2)18-16(22)17(3)12-19(25(4,23)24)11-15(21)20(17)14-9-7-5-6-8-10-14/h13-14H,5-12H2,1-4H3,(H,18,22).
What are the key properties of 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 53383279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).