3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide

C9H20N2OS — CID 66230188

IUPAC3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSCC(C)(C)N
InChIInChI=1S/C9H20N2OS/c1-9(2,10)7-13-6-5-8(12)11(3)4/h5-7,10H2,1-4H3
InChIKeyWFKMBXLEKPOCKP-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.94
Rot. Bonds5

About 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide

3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 66230188) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide
PubChem CID66230188
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSCC(C)(C)N
InChIInChI=1S/C9H20N2OS/c1-9(2,10)7-13-6-5-8(12)11(3)4/h5-7,10H2,1-4H3
InChIKeyWFKMBXLEKPOCKP-UHFFFAOYSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide (CID 66230188) is 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide is CN(C)C(=O)CCSCC(C)(C)N.
What is the InChIKey of 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is WFKMBXLEKPOCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-9(2,10)7-13-6-5-8(12)11(3)4/h5-7,10H2,1-4H3.
What are the key properties of 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide?
3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 204.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 66230188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).