N-propan-2-yl-2-(2-sulfanylethylamino)acetamide

C7H16N2OS — CID 23177224

IUPACN-propan-2-yl-2-(2-sulfanylethylamino)acetamide
SMILESCC(C)NC(=O)CNCCS
InChIInChI=1S/C7H16N2OS/c1-6(2)9-7(10)5-8-3-4-11/h6,8,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyVVJNDOGFEOMGOO-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.03
Rot. Bonds5

About N-propan-2-yl-2-(2-sulfanylethylamino)acetamide

N-propan-2-yl-2-(2-sulfanylethylamino)acetamide (PubChem CID 23177224) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-propan-2-yl-2-(2-sulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2-sulfanylethylamino)acetamide
PubChem CID23177224
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-propan-2-yl-2-(2-sulfanylethylamino)acetamide
SMILESCC(C)NC(=O)CNCCS
InChIInChI=1S/C7H16N2OS/c1-6(2)9-7(10)5-8-3-4-11/h6,8,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyVVJNDOGFEOMGOO-UHFFFAOYSA-N
XLogP0.03
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-2-(2-sulfanylethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2-sulfanylethylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(2-sulfanylethylamino)acetamide (CID 23177224) is N-propan-2-yl-2-(2-sulfanylethylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(2-sulfanylethylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(2-sulfanylethylamino)acetamide is CC(C)NC(=O)CNCCS.
What is the InChIKey of N-propan-2-yl-2-(2-sulfanylethylamino)acetamide?
The InChIKey is VVJNDOGFEOMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-6(2)9-7(10)5-8-3-4-11/h6,8,11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-propan-2-yl-2-(2-sulfanylethylamino)acetamide?
N-propan-2-yl-2-(2-sulfanylethylamino)acetamide has a molecular weight of 176.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2-sulfanylethylamino)acetamide is sourced from PubChem (CID 23177224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).