3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide

C16H34N2O6S2 — CID 75534456

IUPAC3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1C(C)(C)C(NS(=O)(=O)CCCOC)C1(C)C
InChIInChI=1S/C16H34N2O6S2/c1-15(2)13(17-25(19,20)11-7-9-23-5)16(3,4)14(15)18-26(21,22)12-8-10-24-6/h13-14,17-18H,7-12H2,1-6H3
InChIKeyXJUVQAWOPHJJIS-UHFFFAOYSA-N
MW414.59 g/mol
LogP0.70
Rot. Bonds12

About 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide

3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide (PubChem CID 75534456) has the molecular formula C16H34N2O6S2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide
PubChem CID75534456
Molecular FormulaC16H34N2O6S2
Molecular Weight414.59 g/mol
Exact Mass414.19
IUPAC Name3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1C(C)(C)C(NS(=O)(=O)CCCOC)C1(C)C
InChIInChI=1S/C16H34N2O6S2/c1-15(2)13(17-25(19,20)11-7-9-23-5)16(3,4)14(15)18-26(21,22)12-8-10-24-6/h13-14,17-18H,7-12H2,1-6H3
InChIKeyXJUVQAWOPHJJIS-UHFFFAOYSA-N
XLogP0.70
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide (CID 75534456) is 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide is COCCCS(=O)(=O)NC1C(C)(C)C(NS(=O)(=O)CCCOC)C1(C)C.
What is the InChIKey of 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide?
The InChIKey is XJUVQAWOPHJJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O6S2/c1-15(2)13(17-25(19,20)11-7-9-23-5)16(3,4)14(15)18-26(21,22)12-8-10-24-6/h13-14,17-18H,7-12H2,1-6H3.
What are the key properties of 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide?
3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide has a molecular weight of 414.59 g/mol, XLogP of 0.70, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide is sourced from PubChem (CID 75534456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).