N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide

C10H22N2O3S — CID 62048246

IUPACN-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-3-10(2,8-11)12-16(13,14)9-4-6-15-7-5-9/h9,12H,3-8,11H2,1-2H3
InChIKeyILFVGBUUYDWVNW-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.21
Rot. Bonds5

About N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide

N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide (PubChem CID 62048246) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide
PubChem CID62048246
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-3-10(2,8-11)12-16(13,14)9-4-6-15-7-5-9/h9,12H,3-8,11H2,1-2H3
InChIKeyILFVGBUUYDWVNW-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide 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

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106297743
N-isopropyltetrahydro-2H-pyran-4-sulfonamide
CID 64295375
1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
CID 166765445
N-(5-methylhexyl)oxane-4-sulfonamide
CID 172505553
ethane;N-pentyloxane-4-sulfonamide
CID 176560168
N-(1-amino-2-methylbutan-2-yl)-N-methyloxane-4-sulfonamide
CID 55031389
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
CID 55031390
4-amino-N-(oxan-4-yl)butane-1-sulfonamide
CID 61456909
N-[3-(aminomethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 61608687
N-(1-amino-2-methylbutan-2-yl)-2-methoxyethanesulfonamide
CID 61608718
N-(4-aminobutyl)oxane-4-sulfonamide
CID 62047530
2-Methyl-2-(oxan-4-ylsulfonylamino)butanethioamide
CID 62047534

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide (CID 62048246) is N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide is CCC(C)(CN)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide?
The InChIKey is ILFVGBUUYDWVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-10(2,8-11)12-16(13,14)9-4-6-15-7-5-9/h9,12H,3-8,11H2,1-2H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide is sourced from PubChem (CID 62048246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).