2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine

C16H35NOS — CID 166889153

IUPAC2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine
SMILESCCCCCCCCCCCC[S@](=O)CCN(C)C
InChIInChI=1S/C16H35NOS/c1-4-5-6-7-8-9-10-11-12-13-15-19(18)16-14-17(2)3/h4-16H2,1-3H3/t19-/m0/s1
InChIKeyOFMITOFLXZXAIJ-IBGZPJMESA-N
MW289.53 g/mol
LogP4.22
Rot. Bonds14

About 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine

2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine (PubChem CID 166889153) has the molecular formula C16H35NOS and a molecular weight of 289.53 g/mol. Its IUPAC name is 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine
PubChem CID166889153
Molecular FormulaC16H35NOS
Molecular Weight289.53 g/mol
Exact Mass289.24
IUPAC Name2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine
SMILESCCCCCCCCCCCC[S@](=O)CCN(C)C
InChIInChI=1S/C16H35NOS/c1-4-5-6-7-8-9-10-11-12-13-15-19(18)16-14-17(2)3/h4-16H2,1-3H3/t19-/m0/s1
InChIKeyOFMITOFLXZXAIJ-IBGZPJMESA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-heptadecylsulfinylheptadecane
CID 54059826
1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
tetradecylsulfinylmethanol
CID 88782233
3-pentylsulfinylpropan-1-ol
CID 12518269
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
1-propylsulfinylbutane
CID 564183
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine (CID 166889153) is 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine is CCCCCCCCCCCC[S@](=O)CCN(C)C.
What is the InChIKey of 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine?
The InChIKey is OFMITOFLXZXAIJ-IBGZPJMESA-N. The full InChI is InChI=1S/C16H35NOS/c1-4-5-6-7-8-9-10-11-12-13-15-19(18)16-14-17(2)3/h4-16H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine?
2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine has a molecular weight of 289.53 g/mol, XLogP of 4.22, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine is sourced from PubChem (CID 166889153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).