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

C8H18N2OS — CID 66227187

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide
SMILESCC(CN)CSCC(=O)N(C)C
InChIInChI=1S/C8H18N2OS/c1-7(4-9)5-12-6-8(11)10(2)3/h7H,4-6,9H2,1-3H3
InChIKeyUZZUKXVSFUMQFG-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.40
Rot. Bonds5

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

2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide (PubChem CID 66227187) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide
PubChem CID66227187
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide
SMILESCC(CN)CSCC(=O)N(C)C
InChIInChI=1S/C8H18N2OS/c1-7(4-9)5-12-6-8(11)10(2)3/h7H,4-6,9H2,1-3H3
InChIKeyUZZUKXVSFUMQFG-UHFFFAOYSA-N
XLogP0.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide (CID 66227187) is 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide is CC(CN)CSCC(=O)N(C)C.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is UZZUKXVSFUMQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-7(4-9)5-12-6-8(11)10(2)3/h7H,4-6,9H2,1-3H3.
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 190.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 66227187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).