2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine

C17H35NOS — CID 107759517

IUPAC2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine
SMILESCC(C)C(C)S(=O)C1CCCCCCCCCCC1N
InChIInChI=1S/C17H35NOS/c1-14(2)15(3)20(19)17-13-11-9-7-5-4-6-8-10-12-16(17)18/h14-17H,4-13,18H2,1-3H3
InChIKeyWATSJWVEPRWOBD-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.39
Rot. Bonds3

About 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine

2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine (PubChem CID 107759517) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine
PubChem CID107759517
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Name2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine
SMILESCC(C)C(C)S(=O)C1CCCCCCCCCCC1N
InChIInChI=1S/C17H35NOS/c1-14(2)15(3)20(19)17-13-11-9-7-5-4-6-8-10-12-16(17)18/h14-17H,4-13,18H2,1-3H3
InChIKeyWATSJWVEPRWOBD-UHFFFAOYSA-N
XLogP4.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine (CID 107759517) is 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine is CC(C)C(C)S(=O)C1CCCCCCCCCCC1N.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine?
The InChIKey is WATSJWVEPRWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOS/c1-14(2)15(3)20(19)17-13-11-9-7-5-4-6-8-10-12-16(17)18/h14-17H,4-13,18H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine?
2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine has a molecular weight of 301.54 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine is sourced from PubChem (CID 107759517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).