N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C10H18F3NOS — CID 78884113

IUPACN-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)SC
InChIInChI=1S/C10H18F3NOS/c1-4-5-6-14(7-10(11,12)13)9(15)8(2)16-3/h8H,4-7H2,1-3H3
InChIKeyKOGVBSHCQSCIJE-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.93
Rot. Bonds6

About N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide

N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78884113) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78884113
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC NameN-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)SC
InChIInChI=1S/C10H18F3NOS/c1-4-5-6-14(7-10(11,12)13)9(15)8(2)16-3/h8H,4-7H2,1-3H3
InChIKeyKOGVBSHCQSCIJE-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78884113) is N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)C(C)SC.
What is the InChIKey of N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KOGVBSHCQSCIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-4-5-6-14(7-10(11,12)13)9(15)8(2)16-3/h8H,4-7H2,1-3H3.
What are the key properties of N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 257.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78884113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).