N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride

C14H21ClN4O3S2 — CID 120852105

IUPACN-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCc1ccc(-c2nc(C3(N)CCCC3)no2)s1.Cl
InChIInChI=1S/C14H20N4O3S2.ClH/c1-23(19,20)16-9-6-10-4-5-11(22-10)12-17-13(18-21-12)14(15)7-2-3-8-14;/h4-5,16H,2-3,6-9,15H2,1H3;1H
InChIKeyXGCOBGNBESCGHP-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.04
Rot. Bonds6

About N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride

N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride (PubChem CID 120852105) has the molecular formula C14H21ClN4O3S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
PubChem CID120852105
Molecular FormulaC14H21ClN4O3S2
Molecular Weight392.93 g/mol
Exact Mass392.07
IUPAC NameN-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCc1ccc(-c2nc(C3(N)CCCC3)no2)s1.Cl
InChIInChI=1S/C14H20N4O3S2.ClH/c1-23(19,20)16-9-6-10-4-5-11(22-10)12-17-13(18-21-12)14(15)7-2-3-8-14;/h4-5,16H,2-3,6-9,15H2,1H3;1H
InChIKeyXGCOBGNBESCGHP-UHFFFAOYSA-N
XLogP2.04
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
CID 120863952
1-[5-(5-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859392
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide;hydrochloride
CID 120854920
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 18141554
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120855248
N-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120855614
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428
1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61406799
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide
CID 120862980
1-[5-(2-chloro-5-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851298

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride (CID 120852105) is N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCCc1ccc(-c2nc(C3(N)CCCC3)no2)s1.Cl.
What is the InChIKey of N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride?
The InChIKey is XGCOBGNBESCGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2.ClH/c1-23(19,20)16-9-6-10-4-5-11(22-10)12-17-13(18-21-12)14(15)7-2-3-8-14;/h4-5,16H,2-3,6-9,15H2,1H3;1H.
What are the key properties of N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride?
N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120852105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).