3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide

C17H25FN2OS — CID 119530613

IUPAC3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)CSc1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C17H25FN2OS/c1-3-10-20(15-8-9-19-11-15)17(21)13(2)12-22-16-6-4-14(18)5-7-16/h4-7,13,15,19H,3,8-12H2,1-2H3
InChIKeyOLTKCKFCFNQULF-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.15
Rot. Bonds7

About 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide

3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119530613) has the molecular formula C17H25FN2OS and a molecular weight of 324.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119530613
Molecular FormulaC17H25FN2OS
Molecular Weight324.46 g/mol
Exact Mass324.17
IUPAC Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)CSc1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C17H25FN2OS/c1-3-10-20(15-8-9-19-11-15)17(21)13(2)12-22-16-6-4-14(18)5-7-16/h4-7,13,15,19H,3,8-12H2,1-2H3
InChIKeyOLTKCKFCFNQULF-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530492
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
2-(3-fluorophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823341
2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119823787
N-propyl-2-pyridin-3-yl-N-pyrrolidin-3-ylpropanamide
CID 119530488
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530954
3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide
CID 120555733
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119530613) is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)C(C)CSc1ccc(F)cc1)C1CCNC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is OLTKCKFCFNQULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2OS/c1-3-10-20(15-8-9-19-11-15)17(21)13(2)12-22-16-6-4-14(18)5-7-16/h4-7,13,15,19H,3,8-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 324.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119530613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).