(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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Related Compounds

N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide
CID 140797360
(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 29151861
(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one
CID 163909402
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 26403499
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719814
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595
4-chloro-1-cyclohexylpyrrolidin-2-one
CID 168688489
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 95985225
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637

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).