N-(7-methyloctyl)sulfamate

C9H20NO3S- — CID 24796788

IUPACN-(7-methyloctyl)sulfamate
SMILESCC(C)CCCCCCNS(=O)(=O)[O-]
InChIInChI=1S/C9H21NO3S/c1-9(2)7-5-3-4-6-8-10-14(11,12)13/h9-10H,3-8H2,1-2H3,(H,11,12,13)/p-1
InChIKeyWRAOMSYSAAAQTR-UHFFFAOYSA-M
MW222.33 g/mol
LogP1.64
Rot. Bonds8

About N-(7-methyloctyl)sulfamate

N-(7-methyloctyl)sulfamate (PubChem CID 24796788) has the molecular formula C9H20NO3S- and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(7-methyloctyl)sulfamate.

Molecular Properties

Compound NameN-(7-methyloctyl)sulfamate
PubChem CID24796788
Molecular FormulaC9H20NO3S-
Molecular Weight222.33 g/mol
Exact Mass222.12
IUPAC NameN-(7-methyloctyl)sulfamate
SMILESCC(C)CCCCCCNS(=O)(=O)[O-]
InChIInChI=1S/C9H21NO3S/c1-9(2)7-5-3-4-6-8-10-14(11,12)13/h9-10H,3-8H2,1-2H3,(H,11,12,13)/p-1
InChIKeyWRAOMSYSAAAQTR-UHFFFAOYSA-M
XLogP1.64
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.64
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'}

Analyze N-(7-methyloctyl)sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)sulfamate?
The IUPAC name of N-(7-methyloctyl)sulfamate (CID 24796788) is N-(7-methyloctyl)sulfamate.
What is the SMILES notation for N-(7-methyloctyl)sulfamate?
The canonical SMILES for N-(7-methyloctyl)sulfamate is CC(C)CCCCCCNS(=O)(=O)[O-].
What is the InChIKey of N-(7-methyloctyl)sulfamate?
The InChIKey is WRAOMSYSAAAQTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21NO3S/c1-9(2)7-5-3-4-6-8-10-14(11,12)13/h9-10H,3-8H2,1-2H3,(H,11,12,13)/p-1.
What are the key properties of N-(7-methyloctyl)sulfamate?
N-(7-methyloctyl)sulfamate has a molecular weight of 222.33 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)sulfamate is sourced from PubChem (CID 24796788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).