2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine

C16H33NO3S — CID 64644745

IUPAC2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1S(=O)(=O)CCOC
InChIInChI=1S/C16H33NO3S/c1-17-15-11-9-7-5-3-4-6-8-10-12-16(15)21(18,19)14-13-20-2/h15-17H,3-14H2,1-2H3
InChIKeyPJQSALGUIGYFEZ-UHFFFAOYSA-N
MW319.51 g/mol
LogP2.92
Rot. Bonds5

About 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine

2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine (PubChem CID 64644745) has the molecular formula C16H33NO3S and a molecular weight of 319.51 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine
PubChem CID64644745
Molecular FormulaC16H33NO3S
Molecular Weight319.51 g/mol
Exact Mass319.22
IUPAC Name2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1S(=O)(=O)CCOC
InChIInChI=1S/C16H33NO3S/c1-17-15-11-9-7-5-3-4-6-8-10-12-16(15)21(18,19)14-13-20-2/h15-17H,3-14H2,1-2H3
InChIKeyPJQSALGUIGYFEZ-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine?
The IUPAC name of 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine (CID 64644745) is 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine is CNC1CCCCCCCCCCC1S(=O)(=O)CCOC.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine?
The InChIKey is PJQSALGUIGYFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3S/c1-17-15-11-9-7-5-3-4-6-8-10-12-16(15)21(18,19)14-13-20-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine?
2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine has a molecular weight of 319.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine is sourced from PubChem (CID 64644745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).