N-decylsulfamate

C10H22NO3S- — CID 24796778

IUPACN-decylsulfamate
SMILESCCCCCCCCCCNS(=O)(=O)[O-]
InChIInChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h11H,2-10H2,1H3,(H,12,13,14)/p-1
InChIKeyYTVRFBQKVFJIQD-UHFFFAOYSA-M
MW236.36 g/mol
LogP2.18
Rot. Bonds10

About N-decylsulfamate

N-decylsulfamate (PubChem CID 24796778) has the molecular formula C10H22NO3S- and a molecular weight of 236.36 g/mol. Its IUPAC name is N-decylsulfamate.

Molecular Properties

Compound NameN-decylsulfamate
PubChem CID24796778
Molecular FormulaC10H22NO3S-
Molecular Weight236.36 g/mol
Exact Mass236.13
IUPAC NameN-decylsulfamate
SMILESCCCCCCCCCCNS(=O)(=O)[O-]
InChIInChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h11H,2-10H2,1H3,(H,12,13,14)/p-1
InChIKeyYTVRFBQKVFJIQD-UHFFFAOYSA-M
XLogP2.18
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-decylsulfamate?
The IUPAC name of N-decylsulfamate (CID 24796778) is N-decylsulfamate.
What is the SMILES notation for N-decylsulfamate?
The canonical SMILES for N-decylsulfamate is CCCCCCCCCCNS(=O)(=O)[O-].
What is the InChIKey of N-decylsulfamate?
The InChIKey is YTVRFBQKVFJIQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h11H,2-10H2,1H3,(H,12,13,14)/p-1.
What are the key properties of N-decylsulfamate?
N-decylsulfamate has a molecular weight of 236.36 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylsulfamate is sourced from PubChem (CID 24796778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).