sodium N-[1-(aminomethyl)cyclohexyl]sulfamate

C7H15N2NaO3S — CID 67465541

IUPACsodium N-[1-(aminomethyl)cyclohexyl]sulfamate
SMILESNCC1(NS(=O)(=O)[O-])CCCCC1.[Na+]
InChIInChI=1S/C7H16N2O3S.Na/c8-6-7(9-13(10,11)12)4-2-1-3-5-7;/h9H,1-6,8H2,(H,10,11,12);/q;+1/p-1
InChIKeyYSNSEBCMZGKAQF-UHFFFAOYSA-M
MW230.26 g/mol
LogP-3.30
Rot. Bonds3

About sodium N-[1-(aminomethyl)cyclohexyl]sulfamate

sodium N-[1-(aminomethyl)cyclohexyl]sulfamate (PubChem CID 67465541) has the molecular formula C7H15N2NaO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is sodium N-[1-(aminomethyl)cyclohexyl]sulfamate.

Molecular Properties

Compound Namesodium N-[1-(aminomethyl)cyclohexyl]sulfamate
PubChem CID67465541
Molecular FormulaC7H15N2NaO3S
Molecular Weight230.26 g/mol
Exact Mass230.07
IUPAC Namesodium N-[1-(aminomethyl)cyclohexyl]sulfamate
SMILESNCC1(NS(=O)(=O)[O-])CCCCC1.[Na+]
InChIInChI=1S/C7H16N2O3S.Na/c8-6-7(9-13(10,11)12)4-2-1-3-5-7;/h9H,1-6,8H2,(H,10,11,12);/q;+1/p-1
InChIKeyYSNSEBCMZGKAQF-UHFFFAOYSA-M
XLogP-3.30
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-3.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(aminomethyl)cyclohexyl]sulfamate?
The IUPAC name of sodium N-[1-(aminomethyl)cyclohexyl]sulfamate (CID 67465541) is sodium N-[1-(aminomethyl)cyclohexyl]sulfamate.
What is the SMILES notation for sodium N-[1-(aminomethyl)cyclohexyl]sulfamate?
The canonical SMILES for sodium N-[1-(aminomethyl)cyclohexyl]sulfamate is NCC1(NS(=O)(=O)[O-])CCCCC1.[Na+].
What is the InChIKey of sodium N-[1-(aminomethyl)cyclohexyl]sulfamate?
The InChIKey is YSNSEBCMZGKAQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N2O3S.Na/c8-6-7(9-13(10,11)12)4-2-1-3-5-7;/h9H,1-6,8H2,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-[1-(aminomethyl)cyclohexyl]sulfamate?
sodium N-[1-(aminomethyl)cyclohexyl]sulfamate has a molecular weight of 230.26 g/mol, XLogP of -3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[1-(aminomethyl)cyclohexyl]sulfamate is sourced from PubChem (CID 67465541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).