N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide

C11H24N2O2S — CID 114548169

IUPACN-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H24N2O2S/c1-4-12-7-8-16(14,15)13-10-5-6-11(2,3)9-10/h10,12-13H,4-9H2,1-3H3
InChIKeyYOJOOTGCXXQISK-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.09
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide

N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 114548169) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
PubChem CID114548169
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H24N2O2S/c1-4-12-7-8-16(14,15)13-10-5-6-11(2,3)9-10/h10,12-13H,4-9H2,1-3H3
InChIKeyYOJOOTGCXXQISK-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide
CID 114550633
3-(dipropylsulfamoylamino)-1,1-dimethylcyclopentane
CID 115881153
N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106075642
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
3,3-dimethyl-N-(2-methylpropylsulfamoyl)cyclopentan-1-amine
CID 114814941
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide (CID 114548169) is N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is YOJOOTGCXXQISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-12-7-8-16(14,15)13-10-5-6-11(2,3)9-10/h10,12-13H,4-9H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide?
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 114548169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).