N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C15H24N4O2S — CID 145040477

IUPACN-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNCCCSN1CCC(NC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C15H24N4O2S/c16-6-1-9-22-19-7-4-12(5-8-19)17-15(20)13-10-14(21-18-13)11-2-3-11/h10-12H,1-9,16H2,(H,17,20)
InChIKeyVYOJJOBBCSWEPU-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.74
Rot. Bonds7

About N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 145040477) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID145040477
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNCCCSN1CCC(NC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C15H24N4O2S/c16-6-1-9-22-19-7-4-12(5-8-19)17-15(20)13-10-14(21-18-13)11-2-3-11/h10-12H,1-9,16H2,(H,17,20)
InChIKeyVYOJJOBBCSWEPU-UHFFFAOYSA-N
XLogP1.74
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 145040477) is N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NCCCSN1CCC(NC(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is VYOJJOBBCSWEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c16-6-1-9-22-19-7-4-12(5-8-19)17-15(20)13-10-14(21-18-13)11-2-3-11/h10-12H,1-9,16H2,(H,17,20).
What are the key properties of N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145040477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).