2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide

C13H24N2OS — CID 79027227

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSCC(C)(C)N)C1=CCCC1
InChIInChI=1S/C13H24N2OS/c1-4-15(11-7-5-6-8-11)12(16)9-17-10-13(2,3)14/h7H,4-6,8-10,14H2,1-3H3
InChIKeyBPQXZVGOSZVMTI-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.37
Rot. Bonds6

About 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 79027227) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID79027227
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSCC(C)(C)N)C1=CCCC1
InChIInChI=1S/C13H24N2OS/c1-4-15(11-7-5-6-8-11)12(16)9-17-10-13(2,3)14/h7H,4-6,8-10,14H2,1-3H3
InChIKeyBPQXZVGOSZVMTI-UHFFFAOYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide 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 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 79027227) is 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CSCC(C)(C)N)C1=CCCC1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is BPQXZVGOSZVMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-15(11-7-5-6-8-11)12(16)9-17-10-13(2,3)14/h7H,4-6,8-10,14H2,1-3H3.
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 256.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 79027227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).