2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide

C10H18F3NOS — CID 172615364

IUPAC2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CCC(F)(F)CC1F
InChIInChI=1S/C10H18F3NOS/c1-9(2,3)16(15)14-8-4-5-10(12,13)6-7(8)11/h7-8,14H,4-6H2,1-3H3
InChIKeyPTHTVMBGKJTURU-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.56
Rot. Bonds2

About 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide

2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide (PubChem CID 172615364) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide
PubChem CID172615364
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CCC(F)(F)CC1F
InChIInChI=1S/C10H18F3NOS/c1-9(2,3)16(15)14-8-4-5-10(12,13)6-7(8)11/h7-8,14H,4-6H2,1-3H3
InChIKeyPTHTVMBGKJTURU-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide (CID 172615364) is 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide is CC(C)(C)S(=O)NC1CCC(F)(F)CC1F.
What is the InChIKey of 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide?
The InChIKey is PTHTVMBGKJTURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-9(2,3)16(15)14-8-4-5-10(12,13)6-7(8)11/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide?
2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide has a molecular weight of 257.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide is sourced from PubChem (CID 172615364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).