2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide

C9H19N3O3S — CID 81189346

IUPAC2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)S(=O)CC(C)(C)N
InChIInChI=1S/C9H19N3O3S/c1-6(7(13)12-8(14)11-4)16(15)5-9(2,3)10/h6H,5,10H2,1-4H3,(H2,11,12,13,14)
InChIKeyNARFOJUTEORCGN-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.68
Rot. Bonds4

About 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide

2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide (PubChem CID 81189346) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide
PubChem CID81189346
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)S(=O)CC(C)(C)N
InChIInChI=1S/C9H19N3O3S/c1-6(7(13)12-8(14)11-4)16(15)5-9(2,3)10/h6H,5,10H2,1-4H3,(H2,11,12,13,14)
InChIKeyNARFOJUTEORCGN-UHFFFAOYSA-N
XLogP-0.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide (CID 81189346) is 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)S(=O)CC(C)(C)N.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide?
The InChIKey is NARFOJUTEORCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-6(7(13)12-8(14)11-4)16(15)5-9(2,3)10/h6H,5,10H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide?
2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide has a molecular weight of 249.34 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 81189346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).