N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide

C22H39N3O3S — CID 140797360

IUPACN-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide
SMILESCN(C)C1CCCC2C1CCCC2S(=O)(=O)NC1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C22H39N3O3S/c1-24(2)20-12-6-11-19-18(20)10-7-13-21(19)29(27,28)23-16-14-22(26)25(15-16)17-8-4-3-5-9-17/h16-21,23H,3-15H2,1-2H3
InChIKeyGOORVKRMXZJIQL-UHFFFAOYSA-N
MW425.64 g/mol
LogP2.74
Rot. Bonds5

About N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide

N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide (PubChem CID 140797360) has the molecular formula C22H39N3O3S and a molecular weight of 425.64 g/mol. Its IUPAC name is N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide
PubChem CID140797360
Molecular FormulaC22H39N3O3S
Molecular Weight425.64 g/mol
Exact Mass425.27
IUPAC NameN-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide
SMILESCN(C)C1CCCC2C1CCCC2S(=O)(=O)NC1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C22H39N3O3S/c1-24(2)20-12-6-11-19-18(20)10-7-13-21(19)29(27,28)23-16-14-22(26)25(15-16)17-8-4-3-5-9-17/h16-21,23H,3-15H2,1-2H3
InChIKeyGOORVKRMXZJIQL-UHFFFAOYSA-N
XLogP2.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.64
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide with MolForge

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Related Compounds

(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine
CID 26323883
(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 29151861
(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one
CID 163909402
4-chloro-1-cyclohexylpyrrolidin-2-one
CID 168688489
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
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
CID 95985258
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713037
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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide?
The IUPAC name of N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide (CID 140797360) is N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide?
The canonical SMILES for N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide is CN(C)C1CCCC2C1CCCC2S(=O)(=O)NC1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide?
The InChIKey is GOORVKRMXZJIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O3S/c1-24(2)20-12-6-11-19-18(20)10-7-13-21(19)29(27,28)23-16-14-22(26)25(15-16)17-8-4-3-5-9-17/h16-21,23H,3-15H2,1-2H3.
What are the key properties of N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide?
N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide has a molecular weight of 425.64 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonamide is sourced from PubChem (CID 140797360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).