N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide

C11H25NO3S — CID 176629354

IUPACN-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCCCOC(C)C
InChIInChI=1S/C11H25NO3S/c1-10(2)12-16(13,14)9-7-5-6-8-15-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyKWIFTLZPDQTOED-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.91
Rot. Bonds9

About N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide

N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide (PubChem CID 176629354) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide
PubChem CID176629354
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCCCOC(C)C
InChIInChI=1S/C11H25NO3S/c1-10(2)12-16(13,14)9-7-5-6-8-15-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyKWIFTLZPDQTOED-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide?
The IUPAC name of N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide (CID 176629354) is N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide is CC(C)NS(=O)(=O)CCCCCOC(C)C.
What is the InChIKey of N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide?
The InChIKey is KWIFTLZPDQTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-10(2)12-16(13,14)9-7-5-6-8-15-11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide?
N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-propan-2-yloxypentane-1-sulfonamide is sourced from PubChem (CID 176629354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).