3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide

C8H18N2O2S — CID 57269032

IUPAC3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide
SMILESCC(C)C(CO)NC(=O)C(S)CN
InChIInChI=1S/C8H18N2O2S/c1-5(2)6(4-11)10-8(12)7(13)3-9/h5-7,11,13H,3-4,9H2,1-2H3,(H,10,12)
InChIKeyYXZRTGVZRGTHKC-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.62
Rot. Bonds5

About 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide

3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide (PubChem CID 57269032) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide
PubChem CID57269032
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide
SMILESCC(C)C(CO)NC(=O)C(S)CN
InChIInChI=1S/C8H18N2O2S/c1-5(2)6(4-11)10-8(12)7(13)3-9/h5-7,11,13H,3-4,9H2,1-2H3,(H,10,12)
InChIKeyYXZRTGVZRGTHKC-UHFFFAOYSA-N
XLogP-0.62
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.62
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 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide?
The IUPAC name of 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide (CID 57269032) is 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide is CC(C)C(CO)NC(=O)C(S)CN.
What is the InChIKey of 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide?
The InChIKey is YXZRTGVZRGTHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-5(2)6(4-11)10-8(12)7(13)3-9/h5-7,11,13H,3-4,9H2,1-2H3,(H,10,12).
What are the key properties of 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide?
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide has a molecular weight of 206.31 g/mol, XLogP of -0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 57269032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).