2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide

C14H29NO3S — CID 95265275

IUPAC2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)N[C@H]1CCC[C@@H]1CCC(C)C
InChIInChI=1S/C14H29NO3S/c1-4-18-10-11-19(16,17)15-14-7-5-6-13(14)9-8-12(2)3/h12-15H,4-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyWRXRJQDOJTWTHT-KGLIPLIRSA-N
MW291.46 g/mol
LogP2.55
Rot. Bonds9

About 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide

2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide (PubChem CID 95265275) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide
PubChem CID95265275
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)N[C@H]1CCC[C@@H]1CCC(C)C
InChIInChI=1S/C14H29NO3S/c1-4-18-10-11-19(16,17)15-14-7-5-6-13(14)9-8-12(2)3/h12-15H,4-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyWRXRJQDOJTWTHT-KGLIPLIRSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.55
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

2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide
CID 79043367
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
N-cyclohexyl-2-ethoxyethanesulfonamide
CID 62732931
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine
CID 107760245
N-cyclopropyl-2-(3-methylbutyl)cyclopentan-1-amine
CID 115704595
4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid
CID 66238477
2-ethoxy-N-(3-methylpiperidin-4-yl)ethanesulfonamide
CID 79886103
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 119960526
2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide
CID 63245791
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
CID 63246934

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide (CID 95265275) is 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide is CCOCCS(=O)(=O)N[C@H]1CCC[C@@H]1CCC(C)C.
What is the InChIKey of 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide?
The InChIKey is WRXRJQDOJTWTHT-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-4-18-10-11-19(16,17)15-14-7-5-6-13(14)9-8-12(2)3/h12-15H,4-11H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide?
2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide is sourced from PubChem (CID 95265275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).