2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide

C10H20F3NOS — CID 167117082

IUPAC2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide
SMILESCCC(CCC(F)(F)F)NS(=O)C(C)(C)C
InChIInChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3
InChIKeySNYRQNXQIWOLDP-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.16
Rot. Bonds5

About 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide

2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide (PubChem CID 167117082) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide
PubChem CID167117082
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Name2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide
SMILESCCC(CCC(F)(F)F)NS(=O)C(C)(C)C
InChIInChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3
InChIKeySNYRQNXQIWOLDP-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide (CID 167117082) is 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide is CCC(CCC(F)(F)F)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide?
The InChIKey is SNYRQNXQIWOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide?
2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide has a molecular weight of 259.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide is sourced from PubChem (CID 167117082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).