sodium N-(cyclopentylmethyl)sulfamate

C6H12NNaO3S — CID 23710972

IUPACsodium N-(cyclopentylmethyl)sulfamate
SMILESO=S(=O)([O-])NCC1CCCC1.[Na+]
InChIInChI=1S/C6H13NO3S.Na/c8-11(9,10)7-5-6-3-1-2-4-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChIKeyRRNHRALCMVHVOL-UHFFFAOYSA-M
MW201.22 g/mol
LogP-2.77
Rot. Bonds3

About sodium N-(cyclopentylmethyl)sulfamate

sodium N-(cyclopentylmethyl)sulfamate (PubChem CID 23710972) has the molecular formula C6H12NNaO3S and a molecular weight of 201.22 g/mol. Its IUPAC name is sodium N-(cyclopentylmethyl)sulfamate.

Molecular Properties

Compound Namesodium N-(cyclopentylmethyl)sulfamate
PubChem CID23710972
Molecular FormulaC6H12NNaO3S
Molecular Weight201.22 g/mol
Exact Mass201.04
IUPAC Namesodium N-(cyclopentylmethyl)sulfamate
SMILESO=S(=O)([O-])NCC1CCCC1.[Na+]
InChIInChI=1S/C6H13NO3S.Na/c8-11(9,10)7-5-6-3-1-2-4-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChIKeyRRNHRALCMVHVOL-UHFFFAOYSA-M
XLogP-2.77
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-2.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium N-(cyclopentylmethyl)sulfamate?
The IUPAC name of sodium N-(cyclopentylmethyl)sulfamate (CID 23710972) is sodium N-(cyclopentylmethyl)sulfamate.
What is the SMILES notation for sodium N-(cyclopentylmethyl)sulfamate?
The canonical SMILES for sodium N-(cyclopentylmethyl)sulfamate is O=S(=O)([O-])NCC1CCCC1.[Na+].
What is the InChIKey of sodium N-(cyclopentylmethyl)sulfamate?
The InChIKey is RRNHRALCMVHVOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-5-6-3-1-2-4-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1.
What are the key properties of sodium N-(cyclopentylmethyl)sulfamate?
sodium N-(cyclopentylmethyl)sulfamate has a molecular weight of 201.22 g/mol, XLogP of -2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(cyclopentylmethyl)sulfamate is sourced from PubChem (CID 23710972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).