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

C14H18N4O3S — CID 71913140

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCC2(CS(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H18N4O3S/c1-10-17-13(21-18-10)11-4-3-7-15-12(11)16-8-14(5-6-14)9-22(2,19)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyTWVDZNHCFHHZCG-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.68
Rot. Bonds6

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

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine (PubChem CID 71913140) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
PubChem CID71913140
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCC2(CS(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H18N4O3S/c1-10-17-13(21-18-10)11-4-3-7-15-12(11)16-8-14(5-6-14)9-22(2,19)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyTWVDZNHCFHHZCG-UHFFFAOYSA-N
XLogP1.68
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine (CID 71913140) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine is Cc1noc(-c2cccnc2NCC2(CS(C)(=O)=O)CC2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The InChIKey is TWVDZNHCFHHZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-17-13(21-18-10)11-4-3-7-15-12(11)16-8-14(5-6-14)9-22(2,19)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine has a molecular weight of 322.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine is sourced from PubChem (CID 71913140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).