N-(9-methyldecyl)sulfamate

C11H24NO3S- — CID 24796784

IUPACN-(9-methyldecyl)sulfamate
SMILESCC(C)CCCCCCCCNS(=O)(=O)[O-]
InChIInChI=1S/C11H25NO3S/c1-11(2)9-7-5-3-4-6-8-10-12-16(13,14)15/h11-12H,3-10H2,1-2H3,(H,13,14,15)/p-1
InChIKeyGAYAKNYWWOBJHZ-UHFFFAOYSA-M
MW250.38 g/mol
LogP2.42
Rot. Bonds10

About N-(9-methyldecyl)sulfamate

N-(9-methyldecyl)sulfamate (PubChem CID 24796784) has the molecular formula C11H24NO3S- and a molecular weight of 250.38 g/mol. Its IUPAC name is N-(9-methyldecyl)sulfamate.

Molecular Properties

Compound NameN-(9-methyldecyl)sulfamate
PubChem CID24796784
Molecular FormulaC11H24NO3S-
Molecular Weight250.38 g/mol
Exact Mass250.15
IUPAC NameN-(9-methyldecyl)sulfamate
SMILESCC(C)CCCCCCCCNS(=O)(=O)[O-]
InChIInChI=1S/C11H25NO3S/c1-11(2)9-7-5-3-4-6-8-10-12-16(13,14)15/h11-12H,3-10H2,1-2H3,(H,13,14,15)/p-1
InChIKeyGAYAKNYWWOBJHZ-UHFFFAOYSA-M
XLogP2.42
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.42
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-(9-methyldecyl)sulfamate?
The IUPAC name of N-(9-methyldecyl)sulfamate (CID 24796784) is N-(9-methyldecyl)sulfamate.
What is the SMILES notation for N-(9-methyldecyl)sulfamate?
The canonical SMILES for N-(9-methyldecyl)sulfamate is CC(C)CCCCCCCCNS(=O)(=O)[O-].
What is the InChIKey of N-(9-methyldecyl)sulfamate?
The InChIKey is GAYAKNYWWOBJHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H25NO3S/c1-11(2)9-7-5-3-4-6-8-10-12-16(13,14)15/h11-12H,3-10H2,1-2H3,(H,13,14,15)/p-1.
What are the key properties of N-(9-methyldecyl)sulfamate?
N-(9-methyldecyl)sulfamate has a molecular weight of 250.38 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyldecyl)sulfamate is sourced from PubChem (CID 24796784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).