N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide

C12H28N2O6S2 — CID 139453520

IUPACN-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCOC(C)(C)S(=O)(=O)NCC(C)(C)O
InChIInChI=1S/C12H28N2O6S2/c1-10(2)21(16,17)13-7-8-20-12(5,6)22(18,19)14-9-11(3,4)15/h10,13-15H,7-9H2,1-6H3
InChIKeyWENRSNHITUTKDD-UHFFFAOYSA-N
MW360.50 g/mol
LogP-0.24
Rot. Bonds10

About N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide

N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide (PubChem CID 139453520) has the molecular formula C12H28N2O6S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide
PubChem CID139453520
Molecular FormulaC12H28N2O6S2
Molecular Weight360.50 g/mol
Exact Mass360.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCOC(C)(C)S(=O)(=O)NCC(C)(C)O
InChIInChI=1S/C12H28N2O6S2/c1-10(2)21(16,17)13-7-8-20-12(5,6)22(18,19)14-9-11(3,4)15/h10,13-15H,7-9H2,1-6H3
InChIKeyWENRSNHITUTKDD-UHFFFAOYSA-N
XLogP-0.24
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide
CID 146542197
N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide
CID 90523463
N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
CID 65110441
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
CID 83039103
4-O-propan-2-yl 1-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
CID 126491681
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 175332736
2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid
CID 129167583
1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 103834963
2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol
CID 129232051
N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide
CID 106245719
N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
CID 63902709

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide (CID 139453520) is N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCOC(C)(C)S(=O)(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide?
The InChIKey is WENRSNHITUTKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O6S2/c1-10(2)21(16,17)13-7-8-20-12(5,6)22(18,19)14-9-11(3,4)15/h10,13-15H,7-9H2,1-6H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide?
N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide has a molecular weight of 360.50 g/mol, XLogP of -0.24, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide is sourced from PubChem (CID 139453520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).