[1-(aminomethyl)cyclohexyl]sulfamic acid

C7H16N2O3S — CID 67465542

IUPAC[1-(aminomethyl)cyclohexyl]sulfamic acid
SMILESNCC1(NS(=O)(=O)O)CCCCC1
InChIInChI=1S/C7H16N2O3S/c8-6-7(9-13(10,11)12)4-2-1-3-5-7/h9H,1-6,8H2,(H,10,11,12)
InChIKeyPFKBEMYBCWSUQK-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.04
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]sulfamic acid

[1-(aminomethyl)cyclohexyl]sulfamic acid (PubChem CID 67465542) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]sulfamic acid.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]sulfamic acid
PubChem CID67465542
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name[1-(aminomethyl)cyclohexyl]sulfamic acid
SMILESNCC1(NS(=O)(=O)O)CCCCC1
InChIInChI=1S/C7H16N2O3S/c8-6-7(9-13(10,11)12)4-2-1-3-5-7/h9H,1-6,8H2,(H,10,11,12)
InChIKeyPFKBEMYBCWSUQK-UHFFFAOYSA-N
XLogP0.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
N-(cyclohexylmethyl)aminosulfonamide
CID 17894196
sodium N-[1-(aminomethyl)cyclohexyl]sulfamate
CID 67465541
(Cyclohexylmethyl)sulfamic acid
CID 67465635
N-[(1-aminocyclohexyl)methyl]thiohydroxylamine
CID 132012379
1-Amino-1-[(sulfinoamino)methyl]cyclohexane
CID 155223063
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-(Aminomethyl)-1-(sulfamoylamino)cyclohexane
CID 28940492
1-Amino-1-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 43598188
1-[(Tert-butylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637329
1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclohexan-1-amine
CID 113637807
1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
CID 114803335

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]sulfamic acid?
The IUPAC name of [1-(aminomethyl)cyclohexyl]sulfamic acid (CID 67465542) is [1-(aminomethyl)cyclohexyl]sulfamic acid.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]sulfamic acid?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]sulfamic acid is NCC1(NS(=O)(=O)O)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]sulfamic acid?
The InChIKey is PFKBEMYBCWSUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c8-6-7(9-13(10,11)12)4-2-1-3-5-7/h9H,1-6,8H2,(H,10,11,12).
What are the key properties of [1-(aminomethyl)cyclohexyl]sulfamic acid?
[1-(aminomethyl)cyclohexyl]sulfamic acid has a molecular weight of 208.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]sulfamic acid is sourced from PubChem (CID 67465542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).