N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide

C21H37NO2S — CID 167882856

IUPACN-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide
SMILESO=S(=O)(NCC(C1CCCC1)C1CCCC1)C1CCC2(CCCC2)C1
InChIInChI=1S/C21H37NO2S/c23-25(24,19-11-14-21(15-19)12-5-6-13-21)22-16-20(17-7-1-2-8-17)18-9-3-4-10-18/h17-20,22H,1-16H2
InChIKeyNIKZYMOFRKRSET-UHFFFAOYSA-N
MW367.60 g/mol
LogP5.02
Rot. Bonds6

About N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide

N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide (PubChem CID 167882856) has the molecular formula C21H37NO2S and a molecular weight of 367.60 g/mol. Its IUPAC name is N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide
PubChem CID167882856
Molecular FormulaC21H37NO2S
Molecular Weight367.60 g/mol
Exact Mass367.25
IUPAC NameN-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide
SMILESO=S(=O)(NCC(C1CCCC1)C1CCCC1)C1CCC2(CCCC2)C1
InChIInChI=1S/C21H37NO2S/c23-25(24,19-11-14-21(15-19)12-5-6-13-21)22-16-20(17-7-1-2-8-17)18-9-3-4-10-18/h17-20,22H,1-16H2
InChIKeyNIKZYMOFRKRSET-UHFFFAOYSA-N
XLogP5.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-cyclopropyl-2-(sulfamoylamino)ethyl]cyclopropane
CID 112695021
N-propylspiro[3.3]heptane-2-sulfonamide
CID 154623494
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropyl]cyclopropanesulfonamide
CID 100688312
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine
CID 166276381
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
CID 113242615
spiro[2.5]octane-7-sulfonyl chloride
CID 165446788
N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide
CID 107158183
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
N-(2-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide?
The IUPAC name of N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide (CID 167882856) is N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide.
What is the SMILES notation for N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide?
The canonical SMILES for N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide is O=S(=O)(NCC(C1CCCC1)C1CCCC1)C1CCC2(CCCC2)C1.
What is the InChIKey of N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide?
The InChIKey is NIKZYMOFRKRSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2S/c23-25(24,19-11-14-21(15-19)12-5-6-13-21)22-16-20(17-7-1-2-8-17)18-9-3-4-10-18/h17-20,22H,1-16H2.
What are the key properties of N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide?
N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide has a molecular weight of 367.60 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide is sourced from PubChem (CID 167882856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).