N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide

C10H21N3O2S — CID 119975722

IUPACN-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C10H21N3O2S/c1-10(2,7-11)12-16(14,15)13-6-8-3-4-9(13)5-8/h8-9,12H,3-7,11H2,1-2H3
InChIKeyOMNZSXPTVRKISI-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.04
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide (PubChem CID 119975722) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide
PubChem CID119975722
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C10H21N3O2S/c1-10(2,7-11)12-16(14,15)13-6-8-3-4-9(13)5-8/h8-9,12H,3-7,11H2,1-2H3
InChIKeyOMNZSXPTVRKISI-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide (CID 119975722) is N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide is CC(C)(CN)NS(=O)(=O)N1CC2CCC1C2.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The InChIKey is OMNZSXPTVRKISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-10(2,7-11)12-16(14,15)13-6-8-3-4-9(13)5-8/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide is sourced from PubChem (CID 119975722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).