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

C9H15N3O3S — CID 63352505

IUPAC2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCS(=O)(=O)Cc1noc(C2CCCC2N)n1
InChIInChI=1S/C9H15N3O3S/c1-16(13,14)5-8-11-9(15-12-8)6-3-2-4-7(6)10/h6-7H,2-5,10H2,1H3
InChIKeyNIVTXNGXNBFZDN-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.21
Rot. Bonds3

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

2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 63352505) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID63352505
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCS(=O)(=O)Cc1noc(C2CCCC2N)n1
InChIInChI=1S/C9H15N3O3S/c1-16(13,14)5-8-11-9(15-12-8)6-3-2-4-7(6)10/h6-7H,2-5,10H2,1H3
InChIKeyNIVTXNGXNBFZDN-UHFFFAOYSA-N
XLogP0.21
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238890
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349124
2-[5-(2-aminocyclopentyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827152
N-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63351977
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63892405
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79077058
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65134199
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350639
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350963
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103146144
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65136880

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 63352505) is 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CS(=O)(=O)Cc1noc(C2CCCC2N)n1.
What is the InChIKey of 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is NIVTXNGXNBFZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-16(13,14)5-8-11-9(15-12-8)6-3-2-4-7(6)10/h6-7H,2-5,10H2,1H3.
What are the key properties of 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 63352505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).