3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide

C14H25N3OS — CID 54997044

IUPAC3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide
SMILESCC(C(=O)N1CCCCC1)N(CCC(N)=S)C1CC1
InChIInChI=1S/C14H25N3OS/c1-11(14(18)16-8-3-2-4-9-16)17(12-5-6-12)10-7-13(15)19/h11-12H,2-10H2,1H3,(H2,15,19)
InChIKeyIFIKDOVWHNDNBU-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.53
Rot. Bonds6

About 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide

3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide (PubChem CID 54997044) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide
PubChem CID54997044
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide
SMILESCC(C(=O)N1CCCCC1)N(CCC(N)=S)C1CC1
InChIInChI=1S/C14H25N3OS/c1-11(14(18)16-8-3-2-4-9-16)17(12-5-6-12)10-7-13(15)19/h11-12H,2-10H2,1H3,(H2,15,19)
InChIKeyIFIKDOVWHNDNBU-UHFFFAOYSA-N
XLogP1.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide?
The IUPAC name of 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide (CID 54997044) is 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide?
The canonical SMILES for 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide is CC(C(=O)N1CCCCC1)N(CCC(N)=S)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide?
The InChIKey is IFIKDOVWHNDNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(14(18)16-8-3-2-4-9-16)17(12-5-6-12)10-7-13(15)19/h11-12H,2-10H2,1H3,(H2,15,19).
What are the key properties of 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide?
3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide has a molecular weight of 283.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide is sourced from PubChem (CID 54997044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).