2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide

C8H15FN2OS — CID 143964623

IUPAC2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide
SMILESCC(C)(SN1CC[C@@H](F)C1)C(N)=O
InChIInChI=1S/C8H15FN2OS/c1-8(2,7(10)12)13-11-4-3-6(9)5-11/h6H,3-5H2,1-2H3,(H2,10,12)/t6-/m1/s1
InChIKeyQHEPBKGAFZEKJM-ZCFIWIBFSA-N
MW206.29 g/mol
LogP0.94
Rot. Bonds3

About 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide

2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide (PubChem CID 143964623) has the molecular formula C8H15FN2OS and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide
PubChem CID143964623
Molecular FormulaC8H15FN2OS
Molecular Weight206.29 g/mol
Exact Mass206.09
IUPAC Name2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide
SMILESCC(C)(SN1CC[C@@H](F)C1)C(N)=O
InChIInChI=1S/C8H15FN2OS/c1-8(2,7(10)12)13-11-4-3-6(9)5-11/h6H,3-5H2,1-2H3,(H2,10,12)/t6-/m1/s1
InChIKeyQHEPBKGAFZEKJM-ZCFIWIBFSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide (CID 143964623) is 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide is CC(C)(SN1CC[C@@H](F)C1)C(N)=O.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide?
The InChIKey is QHEPBKGAFZEKJM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15FN2OS/c1-8(2,7(10)12)13-11-4-3-6(9)5-11/h6H,3-5H2,1-2H3,(H2,10,12)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide?
2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfanyl-2-methylpropanamide is sourced from PubChem (CID 143964623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).