2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide

C14H25N3OS — CID 65498306

IUPAC2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(CN2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C14H25N3OS/c15-13(19)9-14(2-3-14)11-16-4-1-12(10-16)17-5-7-18-8-6-17/h12H,1-11H2,(H2,15,19)
InChIKeyRIUJMNZGWSGNEE-UHFFFAOYSA-N
MW283.44 g/mol
LogP0.85
Rot. Bonds5

About 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide

2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide (PubChem CID 65498306) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide
PubChem CID65498306
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(CN2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C14H25N3OS/c15-13(19)9-14(2-3-14)11-16-4-1-12(10-16)17-5-7-18-8-6-17/h12H,1-11H2,(H2,15,19)
InChIKeyRIUJMNZGWSGNEE-UHFFFAOYSA-N
XLogP0.85
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071619
4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine
CID 65002860
2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65493773
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65498094
2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65497226
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856
2-[1-[(4-tert-butylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498092
2-[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 65498498
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63169493
2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 102743971
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
2-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-ol
CID 64791499

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide (CID 65498306) is 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide is NC(=S)CC1(CN2CCC(N3CCOCC3)C2)CC1.
What is the InChIKey of 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide?
The InChIKey is RIUJMNZGWSGNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c15-13(19)9-14(2-3-14)11-16-4-1-12(10-16)17-5-7-18-8-6-17/h12H,1-11H2,(H2,15,19).
What are the key properties of 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide?
2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide has a molecular weight of 283.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).