3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide

C9H16F3NOS — CID 129131079

IUPAC3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide
SMILESCC1CCC(NS(=O)CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-7-2-3-8(6-7)13-15(14)5-4-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyCSXSKLSEQJBESA-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.38
Rot. Bonds4

About 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide

3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide (PubChem CID 129131079) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide
PubChem CID129131079
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide
SMILESCC1CCC(NS(=O)CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-7-2-3-8(6-7)13-15(14)5-4-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyCSXSKLSEQJBESA-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide (CID 129131079) is 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide is CC1CCC(NS(=O)CCC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide?
The InChIKey is CSXSKLSEQJBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-7-2-3-8(6-7)13-15(14)5-4-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide?
3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide has a molecular weight of 243.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide is sourced from PubChem (CID 129131079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).