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

C9H20N2OS — CID 66221872

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide
SMILESCC(SCC(C)(C)N)C(=O)N(C)C
InChIInChI=1S/C9H20N2OS/c1-7(8(12)11(4)5)13-6-9(2,3)10/h7H,6,10H2,1-5H3
InChIKeyZJSWVDFVHUVWKO-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.93
Rot. Bonds4

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

2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 66221872) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide
PubChem CID66221872
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide
SMILESCC(SCC(C)(C)N)C(=O)N(C)C
InChIInChI=1S/C9H20N2OS/c1-7(8(12)11(4)5)13-6-9(2,3)10/h7H,6,10H2,1-5H3
InChIKeyZJSWVDFVHUVWKO-UHFFFAOYSA-N
XLogP0.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide (CID 66221872) is 2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide is CC(SCC(C)(C)N)C(=O)N(C)C.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is ZJSWVDFVHUVWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-7(8(12)11(4)5)13-6-9(2,3)10/h7H,6,10H2,1-5H3.
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide?
2-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 204.34 g/mol, XLogP of 0.93, 4 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,N-dimethylpropanamide is sourced from PubChem (CID 66221872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).