N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide

C12H26N2O3S — CID 114168552

IUPACN-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
SMILESCCC(CC)C(N)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-3-10(4-2)12(13)9-14-18(15,16)11-5-7-17-8-6-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyPQHZZIXNIMQVQE-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.85
Rot. Bonds7

About N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide

N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide (PubChem CID 114168552) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
PubChem CID114168552
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
SMILESCCC(CC)C(N)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-3-10(4-2)12(13)9-14-18(15,16)11-5-7-17-8-6-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyPQHZZIXNIMQVQE-UHFFFAOYSA-N
XLogP0.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
N-(2-cyanopropyl)oxane-4-sulfonamide
CID 62653493
N-(2-chloro-3-ethylpentyl)cyclopropanesulfonamide
CID 106288751
2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 62675881
methyl 2-bromo-3-(oxan-4-ylsulfonylamino)propanoate
CID 103493673
N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
CID 114294616
N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide
CID 114145876
2-amino-3-ethyl-1-(sulfamoylamino)pentane
CID 106286827
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
CID 95617460
N-(1-bromobutan-2-yl)oxane-4-sulfonamide
CID 114298444
N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
CID 115365332

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide (CID 114168552) is N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide is CCC(CC)C(N)CNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide?
The InChIKey is PQHZZIXNIMQVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-10(4-2)12(13)9-14-18(15,16)11-5-7-17-8-6-11/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide?
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide is sourced from PubChem (CID 114168552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).