1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C17H26N6O3S — CID 120852036

IUPAC1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2nc(C3(N)CCCC3)no2)CC1
InChIInChI=1S/C17H26N6O3S/c1-11-14(12(2)21-20-11)27(24,25)23-9-5-13(6-10-23)15-19-16(22-26-15)17(18)7-3-4-8-17/h13H,3-10,18H2,1-2H3,(H,20,21)
InChIKeyLSKQQNKKXMDCAS-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.71
Rot. Bonds4

About 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120852036) has the molecular formula C17H26N6O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120852036
Molecular FormulaC17H26N6O3S
Molecular Weight394.50 g/mol
Exact Mass394.18
IUPAC Name1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2nc(C3(N)CCCC3)no2)CC1
InChIInChI=1S/C17H26N6O3S/c1-11-14(12(2)21-20-11)27(24,25)23-9-5-13(6-10-23)15-19-16(22-26-15)17(18)7-3-4-8-17/h13H,3-10,18H2,1-2H3,(H,20,21)
InChIKeyLSKQQNKKXMDCAS-UHFFFAOYSA-N
XLogP1.71
TPSA131.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120852036) is 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2nc(C3(N)CCCC3)no2)CC1.
What is the InChIKey of 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is LSKQQNKKXMDCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3S/c1-11-14(12(2)21-20-11)27(24,25)23-9-5-13(6-10-23)15-19-16(22-26-15)17(18)7-3-4-8-17/h13H,3-10,18H2,1-2H3,(H,20,21).
What are the key properties of 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 394.50 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120852036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).