N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide

C13H29NO4S — CID 167136479

IUPACN-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide
SMILESCC(C)CCCOCCOCCNS(=O)(=O)C(C)C
InChIInChI=1S/C13H29NO4S/c1-12(2)6-5-8-17-10-11-18-9-7-14-19(15,16)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyLZONRNFKVZWMTM-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.78
Rot. Bonds12

About N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide

N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide (PubChem CID 167136479) has the molecular formula C13H29NO4S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide
PubChem CID167136479
Molecular FormulaC13H29NO4S
Molecular Weight295.45 g/mol
Exact Mass295.18
IUPAC NameN-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide
SMILESCC(C)CCCOCCOCCNS(=O)(=O)C(C)C
InChIInChI=1S/C13H29NO4S/c1-12(2)6-5-8-17-10-11-18-9-7-14-19(15,16)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyLZONRNFKVZWMTM-UHFFFAOYSA-N
XLogP1.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
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-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide (CID 167136479) is N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide is CC(C)CCCOCCOCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide?
The InChIKey is LZONRNFKVZWMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4S/c1-12(2)6-5-8-17-10-11-18-9-7-14-19(15,16)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide?
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide has a molecular weight of 295.45 g/mol, XLogP of 1.78, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 167136479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).