N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide

C11H23NO3S — CID 115881104

IUPACN-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H23NO3S/c1-11(2)6-5-10(9-11)12-16(13,14)8-4-7-15-3/h10,12H,4-9H2,1-3H3
InChIKeySSSJRYNWONPXDM-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.52
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide

N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide (PubChem CID 115881104) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
PubChem CID115881104
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H23NO3S/c1-11(2)6-5-10(9-11)12-16(13,14)8-4-7-15-3/h10,12H,4-9H2,1-3H3
InChIKeySSSJRYNWONPXDM-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169
N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
CID 63290314
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide
CID 114550633
methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
CID 80706394
4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
CID 116816465
2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 114544958
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 65032978

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide (CID 115881104) is N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is SSSJRYNWONPXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2)6-5-10(9-11)12-16(13,14)8-4-7-15-3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide?
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 115881104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).