1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide

C9H22N2O3S — CID 104759940

IUPAC1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C9H22N2O3S/c1-4-9(7-10)15(12,13)11-5-6-14-8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyNUQCRUWPUNDENP-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.07
Rot. Bonds8

About 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide

1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide (PubChem CID 104759940) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide
PubChem CID104759940
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C9H22N2O3S/c1-4-9(7-10)15(12,13)11-5-6-14-8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyNUQCRUWPUNDENP-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide
CID 104761749
1-amino-N-(2-methoxypropyl)butane-2-sulfonamide
CID 102697729
N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 113481327
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938
2-(2-methylpropylsulfonyl)butan-1-amine
CID 64696769
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
3-(aminomethyl)-2,4-dichloro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077482
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765008
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)-1-benzothiophene-3-sulfonamide
CID 106077441

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide (CID 104759940) is 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)NCCOC(C)C.
What is the InChIKey of 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide?
The InChIKey is NUQCRUWPUNDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-9(7-10)15(12,13)11-5-6-14-8(2)3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide?
1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide has a molecular weight of 238.35 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide is sourced from PubChem (CID 104759940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).