N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide

C18H27N3O3S — CID 119942543

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)CC3CSCCN3)C2)c1
InChIInChI=1S/C18H27N3O3S/c1-23-16-8-15(9-17(10-16)24-2)21-5-3-13(11-21)20-18(22)7-14-12-25-6-4-19-14/h8-10,13-14,19H,3-7,11-12H2,1-2H3,(H,20,22)
InChIKeyLXMZCHGIINOLTQ-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.49
Rot. Bonds6

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942543) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942543
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)CC3CSCCN3)C2)c1
InChIInChI=1S/C18H27N3O3S/c1-23-16-8-15(9-17(10-16)24-2)21-5-3-13(11-21)20-18(22)7-14-12-25-6-4-19-14/h8-10,13-14,19H,3-7,11-12H2,1-2H3,(H,20,22)
InChIKeyLXMZCHGIINOLTQ-UHFFFAOYSA-N
XLogP1.49
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119899384
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942526
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942100
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940318
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
5-methoxy-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 115411406

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide (CID 119942543) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide is COc1cc(OC)cc(N2CCC(NC(=O)CC3CSCCN3)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is LXMZCHGIINOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-23-16-8-15(9-17(10-16)24-2)21-5-3-13(11-21)20-18(22)7-14-12-25-6-4-19-14/h8-10,13-14,19H,3-7,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 365.50 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).