1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C15H27ClN4O3S — CID 120855240

IUPAC1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCCS(=O)(=O)N1CCCCC1c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C15H26N4O3S.ClH/c1-2-11-23(20,21)19-10-6-3-7-12(19)13-17-14(18-22-13)15(16)8-4-5-9-15;/h12H,2-11,16H2,1H3;1H
InChIKeySGMSFKLQHNOOGV-UHFFFAOYSA-N
MW378.93 g/mol
LogP2.49
Rot. Bonds5

About 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120855240) has the molecular formula C15H27ClN4O3S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120855240
Molecular FormulaC15H27ClN4O3S
Molecular Weight378.93 g/mol
Exact Mass378.15
IUPAC Name1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCCS(=O)(=O)N1CCCCC1c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C15H26N4O3S.ClH/c1-2-11-23(20,21)19-10-6-3-7-12(19)13-17-14(18-22-13)15(16)8-4-5-9-15;/h12H,2-11,16H2,1H3;1H
InChIKeySGMSFKLQHNOOGV-UHFFFAOYSA-N
XLogP2.49
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
CID 138056173
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120852449
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 120856196
1-[5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861773
5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 56728159
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
3-(3-methylphenyl)-5-(1-octylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
CID 3324124
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
CID 120853207
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 11937565

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120855240) is 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CCCS(=O)(=O)N1CCCCC1c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is SGMSFKLQHNOOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S.ClH/c1-2-11-23(20,21)19-10-6-3-7-12(19)13-17-14(18-22-13)15(16)8-4-5-9-15;/h12H,2-11,16H2,1H3;1H.
What are the key properties of 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120855240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).