N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide

C8H20N2O3S — CID 63246035

IUPACN-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C8H20N2O3S/c1-4-13-5-6-14(11,12)10-8(2,3)7-9/h10H,4-7,9H2,1-3H3
InChIKeyYSWZNAAKMVBSFN-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide

N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide (PubChem CID 63246035) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
PubChem CID63246035
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C8H20N2O3S/c1-4-13-5-6-14(11,12)10-8(2,3)7-9/h10H,4-7,9H2,1-3H3
InChIKeyYSWZNAAKMVBSFN-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.32
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide (CID 63246035) is N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide?
The InChIKey is YSWZNAAKMVBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-4-13-5-6-14(11,12)10-8(2,3)7-9/h10H,4-7,9H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63246035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).