2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine

C12H25NOS — CID 104754509

IUPAC2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine
SMILESCCC(C)S(=O)CC(NC)C1CCCC1
InChIInChI=1S/C12H25NOS/c1-4-10(2)15(14)9-12(13-3)11-7-5-6-8-11/h10-13H,4-9H2,1-3H3
InChIKeyVSEBFKWJPYEPKG-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.31
Rot. Bonds6

About 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine

2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine (PubChem CID 104754509) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine
PubChem CID104754509
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine
SMILESCCC(C)S(=O)CC(NC)C1CCCC1
InChIInChI=1S/C12H25NOS/c1-4-10(2)15(14)9-12(13-3)11-7-5-6-8-11/h10-13H,4-9H2,1-3H3
InChIKeyVSEBFKWJPYEPKG-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine?
The IUPAC name of 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine (CID 104754509) is 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine?
The canonical SMILES for 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine is CCC(C)S(=O)CC(NC)C1CCCC1.
What is the InChIKey of 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine?
The InChIKey is VSEBFKWJPYEPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-10(2)15(14)9-12(13-3)11-7-5-6-8-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine?
2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine has a molecular weight of 231.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 104754509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).