N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide

C11H26N2O2S — CID 106085654

IUPACN-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCCC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-12-9-10(2)16(14,15)13-8-7-11(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyLUJKPTIAUUUFFX-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.34
Rot. Bonds7

About N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide

N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide (PubChem CID 106085654) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
PubChem CID106085654
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCCC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-12-9-10(2)16(14,15)13-8-7-11(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyLUJKPTIAUUUFFX-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-1-(propylamino)propane-2-sulfonamide
CID 114142376
1-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]propane-2-sulfonamide
CID 106055954
N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide
CID 106090471
1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide
CID 114095179
1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
CID 106073122
1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide
CID 114185435
1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 106087679
N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 106023482
N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide
CID 114142427
1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
CID 106072908
1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077364

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide (CID 106085654) is N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is LUJKPTIAUUUFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-6-12-9-10(2)16(14,15)13-8-7-11(3,4)5/h10,12-13H,6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide?
N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 106085654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).