N-(cyclopentylmethyl)sulfamate

C6H12NO3S- — CID 21125779

IUPACN-(cyclopentylmethyl)sulfamate
SMILESO=S(=O)([O-])NCC1CCCC1
InChIInChI=1S/C6H13NO3S/c8-11(9,10)7-5-6-3-1-2-4-6/h6-7H,1-5H2,(H,8,9,10)/p-1
InChIKeyPXBPRWGREKFNQP-UHFFFAOYSA-M
MW178.23 g/mol
LogP0.23
Rot. Bonds3

About N-(cyclopentylmethyl)sulfamate

N-(cyclopentylmethyl)sulfamate (PubChem CID 21125779) has the molecular formula C6H12NO3S- and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(cyclopentylmethyl)sulfamate.

Molecular Properties

Compound NameN-(cyclopentylmethyl)sulfamate
PubChem CID21125779
Molecular FormulaC6H12NO3S-
Molecular Weight178.23 g/mol
Exact Mass178.05
IUPAC NameN-(cyclopentylmethyl)sulfamate
SMILESO=S(=O)([O-])NCC1CCCC1
InChIInChI=1S/C6H13NO3S/c8-11(9,10)7-5-6-3-1-2-4-6/h6-7H,1-5H2,(H,8,9,10)/p-1
InChIKeyPXBPRWGREKFNQP-UHFFFAOYSA-M
XLogP0.23
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.23
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 N-(cyclopentylmethyl)sulfamate?
The IUPAC name of N-(cyclopentylmethyl)sulfamate (CID 21125779) is N-(cyclopentylmethyl)sulfamate.
What is the SMILES notation for N-(cyclopentylmethyl)sulfamate?
The canonical SMILES for N-(cyclopentylmethyl)sulfamate is O=S(=O)([O-])NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)sulfamate?
The InChIKey is PXBPRWGREKFNQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO3S/c8-11(9,10)7-5-6-3-1-2-4-6/h6-7H,1-5H2,(H,8,9,10)/p-1.
What are the key properties of N-(cyclopentylmethyl)sulfamate?
N-(cyclopentylmethyl)sulfamate has a molecular weight of 178.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)sulfamate is sourced from PubChem (CID 21125779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).