2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide

C7H16N2O2S — CID 123395561

IUPAC2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide
SMILESCC(C)(O)CNC(=O)C(N)CS
InChIInChI=1S/C7H16N2O2S/c1-7(2,11)4-9-6(10)5(8)3-12/h5,11-12H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyBREGHRCIKABMRP-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.87
Rot. Bonds4

About 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide

2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide (PubChem CID 123395561) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide
PubChem CID123395561
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide
SMILESCC(C)(O)CNC(=O)C(N)CS
InChIInChI=1S/C7H16N2O2S/c1-7(2,11)4-9-6(10)5(8)3-12/h5,11-12H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyBREGHRCIKABMRP-UHFFFAOYSA-N
XLogP-0.87
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide (CID 123395561) is 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide is CC(C)(O)CNC(=O)C(N)CS.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide?
The InChIKey is BREGHRCIKABMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(2,11)4-9-6(10)5(8)3-12/h5,11-12H,3-4,8H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide?
2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide has a molecular weight of 192.28 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide is sourced from PubChem (CID 123395561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).