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

C11H25NO3S — CID 167136360

IUPACN-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide
SMILESCC(C)CCCOCCNS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-10(2)6-5-8-15-9-7-12-16(13,14)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyVCPMSROYDWNDLC-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.77
Rot. Bonds9

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

N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide (PubChem CID 167136360) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide
PubChem CID167136360
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide
SMILESCC(C)CCCOCCNS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-10(2)6-5-8-15-9-7-12-16(13,14)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyVCPMSROYDWNDLC-UHFFFAOYSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide
CID 146352894
2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide
CID 146601609
N-(2-methoxyethyl)-3-methylbutane-2-sulfonamide
CID 156042098
N-(2-propoxyethyl)propane-2-sulfonamide
CID 166873697
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfonamide
CID 167136479
2-methoxy-N-(4-methylpentyl)ethanesulfonamide
CID 169897298
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propane-2-sulfinamide;molecular hydrogen;hydrate
CID 170639464
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propane-2-sulfonamide
CID 172298109
N-(5-methylhexyl)oxane-4-sulfonamide
CID 172505553
N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide
CID 172505753
N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide
CID 176560012
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
CID 178488226

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide (CID 167136360) is N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide is CC(C)CCCOCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide?
The InChIKey is VCPMSROYDWNDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-10(2)6-5-8-15-9-7-12-16(13,14)11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide?
N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentoxy)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 167136360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).