[5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol

C10H18F3NOS — CID 79947383

IUPAC[5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol
SMILESCC1(C)CSCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NOS/c1-8(2)3-9(5-15,7-16-6-8)14-4-10(11,12)13/h14-15H,3-7H2,1-2H3
InChIKeyNNWJRYVMINKMLI-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.03
Rot. Bonds3

About [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol

[5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol (PubChem CID 79947383) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol.

Molecular Properties

Compound Name[5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol
PubChem CID79947383
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name[5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol
SMILESCC1(C)CSCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NOS/c1-8(2)3-9(5-15,7-16-6-8)14-4-10(11,12)13/h14-15H,3-7H2,1-2H3
InChIKeyNNWJRYVMINKMLI-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol?
The IUPAC name of [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol (CID 79947383) is [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol.
What is the SMILES notation for [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol?
The canonical SMILES for [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol is CC1(C)CSCC(CO)(NCC(F)(F)F)C1.
What is the InChIKey of [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol?
The InChIKey is NNWJRYVMINKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-8(2)3-9(5-15,7-16-6-8)14-4-10(11,12)13/h14-15H,3-7H2,1-2H3.
What are the key properties of [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol?
[5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol has a molecular weight of 257.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol is sourced from PubChem (CID 79947383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).