(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine

C13H25N3O3S — CID 26323883

IUPAC(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C13H25N3O3S/c1-15(2)20(18,19)14-11-9-13(17)16(10-11)12-7-5-3-4-6-8-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyAPAQDILNBKCSBD-LLVKDONJSA-N
MW303.43 g/mol
LogP0.71
Rot. Bonds4

About (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine

(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine (PubChem CID 26323883) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine.

Molecular Properties

Compound Name(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine
PubChem CID26323883
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C13H25N3O3S/c1-15(2)20(18,19)14-11-9-13(17)16(10-11)12-7-5-3-4-6-8-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyAPAQDILNBKCSBD-LLVKDONJSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine?
The IUPAC name of (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine (CID 26323883) is (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine.
What is the SMILES notation for (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine?
The canonical SMILES for (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine is CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine?
The InChIKey is APAQDILNBKCSBD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-15(2)20(18,19)14-11-9-13(17)16(10-11)12-7-5-3-4-6-8-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine?
(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine has a molecular weight of 303.43 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine is sourced from PubChem (CID 26323883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).