2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine

C9H21NS — CID 21060472

IUPAC2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine
SMILESCN(C)CCSCC(C)(C)C
InChIInChI=1S/C9H21NS/c1-9(2,3)8-11-7-6-10(4)5/h6-8H2,1-5H3
InChIKeyBCZWKCSKVXKVEH-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.33
Rot. Bonds4

About 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine

2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine (PubChem CID 21060472) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine
PubChem CID21060472
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine
SMILESCN(C)CCSCC(C)(C)C
InChIInChI=1S/C9H21NS/c1-9(2,3)8-11-7-6-10(4)5/h6-8H2,1-5H3
InChIKeyBCZWKCSKVXKVEH-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine (CID 21060472) is 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine is CN(C)CCSCC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine?
The InChIKey is BCZWKCSKVXKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-9(2,3)8-11-7-6-10(4)5/h6-8H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine?
2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine has a molecular weight of 175.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine is sourced from PubChem (CID 21060472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).