N,2-dimethyl-2-propan-2-ylsulfanylpropanamide

C8H17NOS — CID 3051481

IUPACN,2-dimethyl-2-propan-2-ylsulfanylpropanamide
SMILESCNC(=O)C(C)(C)SC(C)C
InChIInChI=1S/C8H17NOS/c1-6(2)11-8(3,4)7(10)9-5/h6H,1-5H3,(H,9,10)
InChIKeyJDBIXTLOURSWDQ-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.65
Rot. Bonds3

About N,2-dimethyl-2-propan-2-ylsulfanylpropanamide

N,2-dimethyl-2-propan-2-ylsulfanylpropanamide (PubChem CID 3051481) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N,2-dimethyl-2-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-2-propan-2-ylsulfanylpropanamide
PubChem CID3051481
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN,2-dimethyl-2-propan-2-ylsulfanylpropanamide
SMILESCNC(=O)C(C)(C)SC(C)C
InChIInChI=1S/C8H17NOS/c1-6(2)11-8(3,4)7(10)9-5/h6H,1-5H3,(H,9,10)
InChIKeyJDBIXTLOURSWDQ-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-dimethyl-2-propan-2-ylsulfanylpropanamide 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,2-dimethyl-2-propan-2-ylsulfanylpropanamide?
The IUPAC name of N,2-dimethyl-2-propan-2-ylsulfanylpropanamide (CID 3051481) is N,2-dimethyl-2-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for N,2-dimethyl-2-propan-2-ylsulfanylpropanamide?
The canonical SMILES for N,2-dimethyl-2-propan-2-ylsulfanylpropanamide is CNC(=O)C(C)(C)SC(C)C.
What is the InChIKey of N,2-dimethyl-2-propan-2-ylsulfanylpropanamide?
The InChIKey is JDBIXTLOURSWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(2)11-8(3,4)7(10)9-5/h6H,1-5H3,(H,9,10).
What are the key properties of N,2-dimethyl-2-propan-2-ylsulfanylpropanamide?
N,2-dimethyl-2-propan-2-ylsulfanylpropanamide has a molecular weight of 175.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 3051481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).