N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide

C10H21FN2O2S — CID 89074162

IUPACN-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide
SMILESCC(C)S(=O)NCCCC(=O)N(C)CCF
InChIInChI=1S/C10H21FN2O2S/c1-9(2)16(15)12-7-4-5-10(14)13(3)8-6-11/h9,12H,4-8H2,1-3H3
InChIKeyYFZKHQSACORXJR-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.86
Rot. Bonds8

About N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide

N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide (PubChem CID 89074162) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide
PubChem CID89074162
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC NameN-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide
SMILESCC(C)S(=O)NCCCC(=O)N(C)CCF
InChIInChI=1S/C10H21FN2O2S/c1-9(2)16(15)12-7-4-5-10(14)13(3)8-6-11/h9,12H,4-8H2,1-3H3
InChIKeyYFZKHQSACORXJR-UHFFFAOYSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide (CID 89074162) is N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide is CC(C)S(=O)NCCCC(=O)N(C)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide?
The InChIKey is YFZKHQSACORXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-9(2)16(15)12-7-4-5-10(14)13(3)8-6-11/h9,12H,4-8H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide?
N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide has a molecular weight of 252.35 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-4-(propan-2-ylsulfinylamino)butanamide is sourced from PubChem (CID 89074162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).