N-pentoxypentane-1-sulfonamide

C10H23NO3S — CID 87372259

IUPACN-pentoxypentane-1-sulfonamide
SMILESCCCCCONS(=O)(=O)CCCCC
InChIInChI=1S/C10H23NO3S/c1-3-5-7-9-14-11-15(12,13)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyJADNRICAFYREAF-UHFFFAOYSA-N
MW237.36 g/mol
LogP2.22
Rot. Bonds10

About N-pentoxypentane-1-sulfonamide

N-pentoxypentane-1-sulfonamide (PubChem CID 87372259) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-pentoxypentane-1-sulfonamide.

Molecular Properties

Compound NameN-pentoxypentane-1-sulfonamide
PubChem CID87372259
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-pentoxypentane-1-sulfonamide
SMILESCCCCCONS(=O)(=O)CCCCC
InChIInChI=1S/C10H23NO3S/c1-3-5-7-9-14-11-15(12,13)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyJADNRICAFYREAF-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxybutane-1-sulfonamide
CID 64973999
N-(2-phenoxyethoxy)butane-1-sulfonamide
CID 110294712
2-(butylsulfonylamino)oxyacetamide
CID 112673472
undecane-1-sulfonohydrazide
CID 174980858
N-heptoxyethanamine
CID 88792401
(butylsulfonylamino) acetate
CID 174309039
N-cyclopropylhexane-1-sulfonamide
CID 67119181
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
tridecyl tridecane-1-sulfonate
CID 123645713
hexadecyl octane-1-sulfonate
CID 172859291
N-octadecoxypropan-1-amine
CID 18519352
lithium;docosyl dodecane-1-sulfonate;hydride
CID 175529583

Frequently Asked Questions

What is the IUPAC name of N-pentoxypentane-1-sulfonamide?
The IUPAC name of N-pentoxypentane-1-sulfonamide (CID 87372259) is N-pentoxypentane-1-sulfonamide.
What is the SMILES notation for N-pentoxypentane-1-sulfonamide?
The canonical SMILES for N-pentoxypentane-1-sulfonamide is CCCCCONS(=O)(=O)CCCCC.
What is the InChIKey of N-pentoxypentane-1-sulfonamide?
The InChIKey is JADNRICAFYREAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-5-7-9-14-11-15(12,13)10-8-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of N-pentoxypentane-1-sulfonamide?
N-pentoxypentane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentoxypentane-1-sulfonamide is sourced from PubChem (CID 87372259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).