2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide

C10H24N2O2S — CID 106330262

IUPAC2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC(C)(CC)CC
InChIInChI=1S/C10H24N2O2S/c1-5-10(4,6-2)12-15(13,14)9-8-11-7-3/h11-12H,5-9H2,1-4H3
InChIKeyWQNGQMXLDKPVCT-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.09
Rot. Bonds8

About 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide

2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide (PubChem CID 106330262) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide
PubChem CID106330262
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC(C)(CC)CC
InChIInChI=1S/C10H24N2O2S/c1-5-10(4,6-2)12-15(13,14)9-8-11-7-3/h11-12H,5-9H2,1-4H3
InChIKeyWQNGQMXLDKPVCT-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide 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

2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118
N-(3-methylpentan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 106330303
1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
CID 106331914
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
CID 64555453
N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
CID 115407704
2-[2-(ethylamino)ethylsulfonylamino]acetic acid
CID 87616397
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
CID 114293791
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
CID 114418198
2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
CID 106169682

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide (CID 106330262) is 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide is CCNCCS(=O)(=O)NC(C)(CC)CC.
What is the InChIKey of 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide?
The InChIKey is WQNGQMXLDKPVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-5-10(4,6-2)12-15(13,14)9-8-11-7-3/h11-12H,5-9H2,1-4H3.
What are the key properties of 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide?
2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide is sourced from PubChem (CID 106330262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).