2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide

C7H16N2OS — CID 23187669

IUPAC2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide
SMILESCC(C)NCC(=O)NCCS
InChIInChI=1S/C7H16N2OS/c1-6(2)9-5-7(10)8-3-4-11/h6,9,11H,3-5H2,1-2H3,(H,8,10)
InChIKeyPUMVICWHCVKDQN-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.03
Rot. Bonds5

About 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide

2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide (PubChem CID 23187669) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide
PubChem CID23187669
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide
SMILESCC(C)NCC(=O)NCCS
InChIInChI=1S/C7H16N2OS/c1-6(2)9-5-7(10)8-3-4-11/h6,9,11H,3-5H2,1-2H3,(H,8,10)
InChIKeyPUMVICWHCVKDQN-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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide (CID 23187669) is 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide is CC(C)NCC(=O)NCCS.
What is the InChIKey of 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide?
The InChIKey is PUMVICWHCVKDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-6(2)9-5-7(10)8-3-4-11/h6,9,11H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide?
2-(propan-2-ylamino)-N-(2-sulfanylethyl)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 2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 23187669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).