N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide

C11H26N2O3S — CID 75515328

IUPACN-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)CC(C)(C)OC
InChIInChI=1S/C11H26N2O3S/c1-6-13-17(14,15)8-7-12-10(2)9-11(3,4)16-5/h10,12-13H,6-9H2,1-5H3
InChIKeyDZVWTFQYHICEDV-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds9

About N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide

N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide (PubChem CID 75515328) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
PubChem CID75515328
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)CC(C)(C)OC
InChIInChI=1S/C11H26N2O3S/c1-6-13-17(14,15)8-7-12-10(2)9-11(3,4)16-5/h10,12-13H,6-9H2,1-5H3
InChIKeyDZVWTFQYHICEDV-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide
CID 102676267
N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 104762864
N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide
CID 115889629
N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide
CID 103901936
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
3-[(4-methoxy-4-methylpentan-2-yl)amino]propanenitrile
CID 43147229

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide (CID 75515328) is N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNC(C)CC(C)(C)OC.
What is the InChIKey of N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide?
The InChIKey is DZVWTFQYHICEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-6-13-17(14,15)8-7-12-10(2)9-11(3,4)16-5/h10,12-13H,6-9H2,1-5H3.
What are the key properties of N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide?
N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 75515328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).