N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C7H14N2O3S — CID 127002266

IUPACN-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCNS(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C7H14N2O3S/c1-8-13(10,11)9-6-4-5-2-3-7(6)12-5/h5-9H,2-4H2,1H3
InChIKeyQETNXZUKMUSOSF-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.64
Rot. Bonds3

About N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 127002266) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID127002266
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCNS(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C7H14N2O3S/c1-8-13(10,11)9-6-4-5-2-3-7(6)12-5/h5-9H,2-4H2,1H3
InChIKeyQETNXZUKMUSOSF-UHFFFAOYSA-N
XLogP-0.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,2R,4S)-7-oxabicyclo(2.2.1)heptan-2-amine
CID 12264627
7-Oxabicyclo[2.2.1]heptan-2-amine
CID 12264626
rac-(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616
Rac-(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-2-ylamine hydrochloride
CID 132371893
7-Oxabicyclo(2.2.1)heptan-2-amine hydrochloride
CID 154704688
7-Oxabicyclo[2.2.1]heptane-2,5-diamine
CID 21301279
(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 54593597
(2R)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 55285205
(1S,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 55285793
(2S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 56828075
(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 57429857
(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 57429858

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 127002266) is N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine is CNS(=O)(=O)NC1CC2CCC1O2.
What is the InChIKey of N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is QETNXZUKMUSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-8-13(10,11)9-6-4-5-2-3-7(6)12-5/h5-9H,2-4H2,1H3.
What are the key properties of N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 206.27 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 127002266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).