2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide

C7H18N2O3S — CID 79390598

IUPAC2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)CCN
InChIInChI=1S/C7H18N2O3S/c1-7(2,10)6-9(3)13(11,12)5-4-8/h10H,4-6,8H2,1-3H3
InChIKeyGCMPTGBRJUSFJI-UHFFFAOYSA-N
MW210.30 g/mol
LogP-1.02
Rot. Bonds5

About 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide

2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide (PubChem CID 79390598) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide
PubChem CID79390598
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)CCN
InChIInChI=1S/C7H18N2O3S/c1-7(2,10)6-9(3)13(11,12)5-4-8/h10H,4-6,8H2,1-3H3
InChIKeyGCMPTGBRJUSFJI-UHFFFAOYSA-N
XLogP-1.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide (CID 79390598) is 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide is CN(CC(C)(C)O)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide?
The InChIKey is GCMPTGBRJUSFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-7(2,10)6-9(3)13(11,12)5-4-8/h10H,4-6,8H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide?
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide has a molecular weight of 210.30 g/mol, XLogP of -1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide is sourced from PubChem (CID 79390598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).