2-ethylsulfinylcyclododecan-1-amine

C14H29NOS — CID 64653771

IUPAC2-ethylsulfinylcyclododecan-1-amine
SMILESCCS(=O)C1CCCCCCCCCCC1N
InChIInChI=1S/C14H29NOS/c1-2-17(16)14-12-10-8-6-4-3-5-7-9-11-13(14)15/h13-14H,2-12,15H2,1H3
InChIKeyMJTBYGJMMJSAIF-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.37
Rot. Bonds2

About 2-ethylsulfinylcyclododecan-1-amine

2-ethylsulfinylcyclododecan-1-amine (PubChem CID 64653771) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-ethylsulfinylcyclododecan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinylcyclododecan-1-amine
PubChem CID64653771
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-ethylsulfinylcyclododecan-1-amine
SMILESCCS(=O)C1CCCCCCCCCCC1N
InChIInChI=1S/C14H29NOS/c1-2-17(16)14-12-10-8-6-4-3-5-7-9-11-13(14)15/h13-14H,2-12,15H2,1H3
InChIKeyMJTBYGJMMJSAIF-UHFFFAOYSA-N
XLogP3.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylcyclododecan-1-amine?
The IUPAC name of 2-ethylsulfinylcyclododecan-1-amine (CID 64653771) is 2-ethylsulfinylcyclododecan-1-amine.
What is the SMILES notation for 2-ethylsulfinylcyclododecan-1-amine?
The canonical SMILES for 2-ethylsulfinylcyclododecan-1-amine is CCS(=O)C1CCCCCCCCCCC1N.
What is the InChIKey of 2-ethylsulfinylcyclododecan-1-amine?
The InChIKey is MJTBYGJMMJSAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-2-17(16)14-12-10-8-6-4-3-5-7-9-11-13(14)15/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-ethylsulfinylcyclododecan-1-amine?
2-ethylsulfinylcyclododecan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylcyclododecan-1-amine is sourced from PubChem (CID 64653771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).