3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine

C12H27NS — CID 163593852

IUPAC3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine
SMILESCCSC(C)(C(C)CC)C(C)CNC
InChIInChI=1S/C12H27NS/c1-7-10(3)12(5,14-8-2)11(4)9-13-6/h10-11,13H,7-9H2,1-6H3
InChIKeyGRTMXLQTKDWAIQ-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.40
Rot. Bonds7

About 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine

3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine (PubChem CID 163593852) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine
PubChem CID163593852
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Name3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine
SMILESCCSC(C)(C(C)CC)C(C)CNC
InChIInChI=1S/C12H27NS/c1-7-10(3)12(5,14-8-2)11(4)9-13-6/h10-11,13H,7-9H2,1-6H3
InChIKeyGRTMXLQTKDWAIQ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine (CID 163593852) is 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine is CCSC(C)(C(C)CC)C(C)CNC.
What is the InChIKey of 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine?
The InChIKey is GRTMXLQTKDWAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-7-10(3)12(5,14-8-2)11(4)9-13-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine?
3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N,2,3,4-tetramethylhexan-1-amine is sourced from PubChem (CID 163593852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).