1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one

C18H25NO2S — CID 121197456

IUPAC1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(CCC(=O)N2CCC(OCC3CC3)C2)cc1
InChIInChI=1S/C18H25NO2S/c1-22-17-7-4-14(5-8-17)6-9-18(20)19-11-10-16(12-19)21-13-15-2-3-15/h4-5,7-8,15-16H,2-3,6,9-13H2,1H3
InChIKeyYRCKWHYPVNUWLP-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.37
Rot. Bonds7

About 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one

1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one (PubChem CID 121197456) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one
PubChem CID121197456
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(CCC(=O)N2CCC(OCC3CC3)C2)cc1
InChIInChI=1S/C18H25NO2S/c1-22-17-7-4-14(5-8-17)6-9-18(20)19-11-10-16(12-19)21-13-15-2-3-15/h4-5,7-8,15-16H,2-3,6,9-13H2,1H3
InChIKeyYRCKWHYPVNUWLP-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chloro-3-methylphenyl)-1-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 129356427
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121197382
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
CID 121197452
2-(4-bromophenyl)-1-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone
CID 129356974
3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 121197558
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 121197474
[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl] acetate
CID 122691367
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 121022722
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 119105498
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone
CID 121197489
3-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 99986656

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one?
The IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one (CID 121197456) is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one is CSc1ccc(CCC(=O)N2CCC(OCC3CC3)C2)cc1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one?
The InChIKey is YRCKWHYPVNUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-22-17-7-4-14(5-8-17)6-9-18(20)19-11-10-16(12-19)21-13-15-2-3-15/h4-5,7-8,15-16H,2-3,6,9-13H2,1H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one?
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one has a molecular weight of 319.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 121197456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).