1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine

C14H16ClN3O3S — CID 75497336

IUPAC1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
SMILESCS(=O)(=O)Cc1noc(CNC2(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C14H16ClN3O3S/c1-22(19,20)9-12-17-13(21-18-12)8-16-14(5-6-14)10-3-2-4-11(15)7-10/h2-4,7,16H,5-6,8-9H2,1H3
InChIKeyMGWOTPCGNISEOG-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.05
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine

1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine (PubChem CID 75497336) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
PubChem CID75497336
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
SMILESCS(=O)(=O)Cc1noc(CNC2(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C14H16ClN3O3S/c1-22(19,20)9-12-17-13(21-18-12)8-16-14(5-6-14)10-3-2-4-11(15)7-10/h2-4,7,16H,5-6,8-9H2,1H3
InChIKeyMGWOTPCGNISEOG-UHFFFAOYSA-N
XLogP2.05
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine (CID 75497336) is 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine is CS(=O)(=O)Cc1noc(CNC2(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine?
The InChIKey is MGWOTPCGNISEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-22(19,20)9-12-17-13(21-18-12)8-16-14(5-6-14)10-3-2-4-11(15)7-10/h2-4,7,16H,5-6,8-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine?
1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine has a molecular weight of 341.82 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 75497336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).