2-dodecylsulfanyl-N,N-dimethylethanamine

C16H35NS — CID 12056810

IUPAC2-dodecylsulfanyl-N,N-dimethylethanamine
SMILESCCCCCCCCCCCCSCCN(C)C
InChIInChI=1S/C16H35NS/c1-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(2)3/h4-16H2,1-3H3
InChIKeyBAMXJTHDBPXKRW-UHFFFAOYSA-N
MW273.53 g/mol
LogP5.20
Rot. Bonds14

About 2-dodecylsulfanyl-N,N-dimethylethanamine

2-dodecylsulfanyl-N,N-dimethylethanamine (PubChem CID 12056810) has the molecular formula C16H35NS and a molecular weight of 273.53 g/mol. Its IUPAC name is 2-dodecylsulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-dodecylsulfanyl-N,N-dimethylethanamine
PubChem CID12056810
Molecular FormulaC16H35NS
Molecular Weight273.53 g/mol
Exact Mass273.25
IUPAC Name2-dodecylsulfanyl-N,N-dimethylethanamine
SMILESCCCCCCCCCCCCSCCN(C)C
InChIInChI=1S/C16H35NS/c1-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(2)3/h4-16H2,1-3H3
InChIKeyBAMXJTHDBPXKRW-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.53
LogP ≤ 55.20
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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Related Compounds

CID 480912
CID 480912
CID 328285
CID 328285
CID 480913
CID 480913
CID 480914
CID 480914
CID 480915
CID 480915
CID 480916
CID 480916
CID 480917
CID 480917
CID 480926
CID 480926
CID 338106
CID 338106
CID 129816064
CID 129816064
CID 129826489
CID 129826489
CID 135121819
CID 135121819

Frequently Asked Questions

What is the IUPAC name of 2-dodecylsulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-dodecylsulfanyl-N,N-dimethylethanamine (CID 12056810) is 2-dodecylsulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-dodecylsulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-dodecylsulfanyl-N,N-dimethylethanamine is CCCCCCCCCCCCSCCN(C)C.
What is the InChIKey of 2-dodecylsulfanyl-N,N-dimethylethanamine?
The InChIKey is BAMXJTHDBPXKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NS/c1-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(2)3/h4-16H2,1-3H3.
What are the key properties of 2-dodecylsulfanyl-N,N-dimethylethanamine?
2-dodecylsulfanyl-N,N-dimethylethanamine has a molecular weight of 273.53 g/mol, XLogP of 5.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylsulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 12056810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).