1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C19H26N4O3S — CID 120852096

IUPAC1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3nc(C4(N)CCCC4)no3)cc2)CC1
InChIInChI=1S/C19H26N4O3S/c1-14-8-12-23(13-9-14)27(24,25)16-6-4-15(5-7-16)17-21-18(22-26-17)19(20)10-2-3-11-19/h4-7,14H,2-3,8-13,20H2,1H3
InChIKeyVMQVTMAWMLSNRK-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.89
Rot. Bonds4

About 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120852096) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120852096
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3nc(C4(N)CCCC4)no3)cc2)CC1
InChIInChI=1S/C19H26N4O3S/c1-14-8-12-23(13-9-14)27(24,25)16-6-4-15(5-7-16)17-21-18(22-26-17)19(20)10-2-3-11-19/h4-7,14H,2-3,8-13,20H2,1H3
InChIKeyVMQVTMAWMLSNRK-UHFFFAOYSA-N
XLogP2.89
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851007
1-[5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861740
4-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-2-one
CID 120861234
4-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120861233
5-(3,5-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075313
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide;hydrochloride
CID 120854920
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 120855132
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120855787
1-[5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863287
1-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851935
1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860179
1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856488

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120852096) is 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CC1CCN(S(=O)(=O)c2ccc(-c3nc(C4(N)CCCC4)no3)cc2)CC1.
What is the InChIKey of 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is VMQVTMAWMLSNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14-8-12-23(13-9-14)27(24,25)16-6-4-15(5-7-16)17-21-18(22-26-17)19(20)10-2-3-11-19/h4-7,14H,2-3,8-13,20H2,1H3.
What are the key properties of 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 390.51 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120852096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).